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  • Analytical Chemistry and Spectroscopy  (6,520)
  • Physics  (3,266)
  • 2005-2009  (31)
  • 1995-1999  (2,778)
  • 1980-1984  (6,977)
  • 1925-1929
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Year
  • 1
    Unknown
    Dordrecht : Springer
    Keywords: Chemistry, Physical organic ; Chemistry, inorganic ; Chemistry ; Mathematics ; Materials ; Mathematics ; Physics
    ISBN: 9781402066603
    Language: English
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  • 2
    Keywords: Biomedical engineering ; Chemistry ; Chemistry, Physical organic ; Physics ; Plasma (Ionized gases) ; Statistical physics
    ISBN: 9783540736172
    Language: English
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  • 3
    Keywords: Condensed matter ; Engineering ; Engineering design ; Materials ; Physics
    ISBN: 9780387345659
    Language: English
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  • 4
    Keywords: Analytical biochemistry ; Chemistry, Organic ; Optical materials ; Physical optics ; Physics
    ISBN: 9781402046117
    Language: English
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  • 5
    Unknown
    Amsterdam ; New York : North-Holland Pub. Co
    Keywords: DDC 530.1 ; LC QC20 ; Mathematical physics ; Physics ; Quantum theory ; Relativity (Physics)
    ISBN: 9780444875853
    Language: English
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  • 6
    Keywords: Chemical engineering ; Physics ; Surfaces (Physics)
    ISBN: 9780387235981
    Language: English
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  • 7
    Unknown
    Berlin, Heidelberg : Springer
    Keywords: Analytical biochemistry ; Condensed matter ; Life sciences ; Materials ; Physics ; Polymers
    ISBN: 9783540271932
    Language: English
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  • 8
    Keywords: Chemistry ; Materials ; Physics ; Polymers ; Soft condensed matter
    ISBN: 9783540315810
    Language: English
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  • 9
    Keywords: Building construction ; Engineering ; Materials ; Physics
    ISBN: 9781852334277
    Language: English
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  • 10
    Keywords: Chemistry, Physical organic ; Engineering ; Nanotechnology ; Optical materials ; Physics
    ISBN: 9783540687528
    Language: English
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  • 11
    Keywords: Biomedical engineering ; Electronics ; Mechanics, applied ; Nanotechnology ; Physics ; Structural control (Engineering)
    Edition: 2
    ISBN: 9783540719670
    Language: English
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  • 12
    Keywords: Chemistry, inorganic ; Materials ; Nanotechnology ; Physics
    ISBN: 9781402039898
    Language: English
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  • 13
    Keywords: Chemistry ; Materials ; Physics ; Polymers ; Soft condensed matter
    ISBN: 9783540315582
    Language: English
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  • 14
    Keywords: Electric engineering ; Environmental sciences ; Materials ; Nanotechnology ; Physics
    ISBN: 9781402055140
    Language: English
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  • 15
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    In:  Geophys. Res. Lett., Amsterdam, Schweizerbart'sche Verlagsbuchhandlung, vol. 32, no. 20, pp. 693-711, pp. L20304, (ISSN 0016-8548, ISBN 3-510-50045-8)
    Publication Date: 2005
    Keywords: Volcanology ; Crustal deformation (cf. Earthquake precursor: deformation or strain) ; Geodesy ; GRL ; 1036 ; Geochemistry: ; Magma ; chamber ; processes ; (3618) ; 8419 ; Volcanology: ; Volcano ; monitoring ; (7280) ; 8439 ; Physics ; and ; chemistry ; of ; magma ; bodies ; 8434 ; Magma ; migration ; and ; fragmentation
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  • 16
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    In:  J. Geophys. Res., Warszawa, American Geophysical Union, vol. 103, no. B7, pp. 15,239-15,253, pp. L08304, (ISSN: 1340-4202)
    Publication Date: 1998
    Keywords: Stress ; Rock mechanics ; Fracture ; Physical properties of rocks ; Laboratory measurements ; 5104 ; Fracture ; and ; flow ; 8010 ; Structural ; geology ; Fractures ; and ; faults ; 8168 ; Tectonophysics ; Stresses--general ; 8439 ; Volcanology ; Physics ; and ; chemistry ; of ; magma ; bodies ; Muller ; JGR
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  • 17
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    In:  J. Geophys. Res., Kalamazoo, Michigan 49001, The Upjohn Company, vol. 103, no. B8, pp. 18,295-18,324, pp. L09603, (ISSN: 1340-4202)
    Publication Date: 1998
    Keywords: Elasticity ; Volcanology ; 8434 ; Volcanology ; Magma ; migration ; 8145 ; Tectonophysics ; JGR ; Physics ; of ; magma ; and ; magma ; bodies ; 8414 ; Eruption ; mechanisms
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  • 18
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    In:  Geophys. Res. Lett., New York, Conseil de l'Europe, vol. 25, no. 12, pp. 2237-2240, pp. B06307, (ISSN: 1340-4202)
    Publication Date: 1998
    Keywords: Volcanology ; Earthquake precursor: chemical (Rn, water(-level,...) ; TIDES ; Earth tides ; Physical properties of rocks ; 8135 ; Tectonophysics ; GRL ; Hydrothermal ; systems ; (8424) ; 8439 ; Volcanology ; Physics ; and ; chemistry ; of ; magma ; bodies ; 7223 ; Seismology ; Seismic ; hazard ; assessment ; and ; prediction ; 1832 ; Hydrology ; Groundwater ; transport
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  • 19
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    In:  Geophys. Res. Lett., Kobe, 1, vol. 26, no. 23, pp. 3437-3440, pp. 8010, (ISBN: 0534351875, 2nd edition)
    Publication Date: 1999
    Description: The formation of ocean crust along the midocean ridge system is volumetrically one of the most important geological processes on the surface of the earth. Volcanic eruptions along the ridge can be catastrophic events during which magma rises to the surface of the sea floor to release heat and gases into turbulent megaplumes that disrupt the overlying water column, initiate and rejuvenate hydrothermal circulation, and trigger an outpouring of microbial debris. Though these events may persist only a few weeks or months at one site, taken together, they may play a major role in the oceanic biogeochemical cycle. Axial Volcano on the Juan de Fuca Ridge has become a laboratory for the study of ephemeral aspects of sea floor volcanism, including results from expeditionary, rapid response, and permanent instrument installations. The geological context and description of the most significant magmatic event on the Juan de Fuca Ridge in the past decade is provided by Embley et al. [3425]. Dziak and Fox [3429], describe a rapid increase in the seismicity remotely monitored by the U.S. Navy hydrophone array. The increase in seismic swarms is the earliest indicator that an eruption has begun. Within hours, volcanic deflation is observed in concert with increases in the bottom water temperature due to venting. Instruments in place for the first time during such a midocean ridge volcanic event measured ground deformation and caldera subsidence resulting from the extraction of magma as described by Fox [3437] and Chadwick et al. [3441], while a coincident outpouring of hot water recorded on moored temperature sensors is described in Baker et al. [3445]. A rapid response cruise in February brought researchers to the site only 14 days after the eruption began and in the midst of winter storms. Sohn et al. [3433] describe local seismicity derived from a network of sea floor hydrophones deployed during the February cruise. Repeated measurements of helium anomalies in the water column before and after the eruption are used by Lupton et al. [3449] to fingerprint the hydrothermal plume associated with the eruption, extending a considerable distance off-axis. Water samples collected during the February 1998 cruise were analyzed for hydrothermal methane and hydrogen by McLaughlin-West et al. [3453]. They find both species to be significantly elevated near the vents and invoke microbial processes to explain the observations.
    Keywords: Crustal deformation (cf. Earthquake precursor: deformation or strain) ; Volcanology ; 3035 ; Marine ; geology ; and ; geophysics ; Midocean ; ridge ; processes ; 8145 ; Tectonophysics ; Physics ; of ; magma ; and ; magma ; bodies ; 8419 ; Volcanology ; Eruption ; monitoring ; (7280) ; 8434 ; Magma ; migration ; GRL
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  • 20
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    In:  Geophys. Res. Lett., London, Pergamon, vol. 24, no. 13, pp. 1559-1562, pp. B05401, (ISBN: 0534351875, 2nd edition)
    Publication Date: 1997
    Keywords: Volcanology ; Stress ; Iceland ; 8145 ; Tectonophysics ; Physics ; of ; magma ; and ; magma ; bodies ; 8414 ; Volcanology ; Eruption ; mechanisms ; GRL
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  • 21
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    In:  Geophys. Res. Lett., Dordrecht, National Academy of Sciences of the USA, vol. 24, no. 15, pp. 1843-1846, pp. TC5003, (ISSN: 1340-4202)
    Publication Date: 1997
    Keywords: Iceland ; SAR ; InSAR ; Plate tectonics ; Crustal deformation (cf. Earthquake precursor: deformation or strain) ; 1209 ; Geodesy ; Gravimetry, Gravitation ; 8145 ; Tectonophysics ; Physics ; of ; magma ; and ; magma ; bodies ; 8150 ; Plate ; boundary ; general ; Massonet ; (3040) ; 3035 ; Marine ; geology ; and ; geophysics ; Midocean ; ridge ; processes ; Volcanology ; GRL
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  • 22
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    In:  Geophys. Res. Lett., Hannover, Dt. Geophys. Ges. e. V., vol. 25, no. 10, pp. 1549-1552, pp. 1058, (ISSN: 1340-4202)
    Publication Date: 1998
    Keywords: Volcanology ; Modelling ; InSAR ; Crustal deformation (cf. Earthquake precursor: deformation or strain) ; 1243 ; Geodesy ; and ; gravity ; Space ; geodetic ; surveys ; 3210 ; Mathematical ; geophysics ; (new ; field) ; Modeling ; 8145 ; Tectonophysics ; Physics ; of ; magma ; and ; magma ; bodies ; 8499 ; Volcanology ; General ; or ; miscellaneous ; GRL
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  • 23
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    In:  J. Geophys. Res., Washington, D.C., AGU, vol. 111, no. B5, pp. 1669-1675, pp. B05204, (ISSN: 1340-4202)
    Publication Date: 2006
    Keywords: Volcanology ; Seismicity ; USA ; static ; elastic ; Stress ; JGR ; volcano ; spreading ; dike ; intrusion ; 8414 ; Volcanology: ; Eruption ; mechanisms ; and ; flow ; emplacement ; 8415 ; Intra-plate ; processes ; (1033, ; 3615) ; 8425 ; Effusive ; volcanism ; 8439 ; Physics ; and ; chemistry ; of ; magma ; bodies ; 8488 ; Volcanic ; hazards ; and ; risks ; TWALTER
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  • 24
    Publication Date: 2008-10-10
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Abbott, Alison -- Brumfiel, Geoff -- England -- Nature. 2008 Oct 9;455(7214):712-3. doi: 10.1038/455712a.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/18843321" target="_blank"〉PubMed〈/a〉
    Keywords: Acquired Immunodeficiency Syndrome/prevention & control/virology ; Alphapapillomavirus/pathogenicity ; Female ; France ; Germany ; *Hiv ; Humans ; Japan ; *Nobel Prize ; Papillomavirus Vaccines ; Physical Phenomena ; Physics ; Research Personnel/*standards ; Uterine Cervical Neoplasms/virology
    Print ISSN: 0028-0836
    Electronic ISSN: 1476-4687
    Topics: Biology , Chemistry and Pharmacology , Medicine , Natural Sciences in General , Physics
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  • 25
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    Nature Publishing Group (NPG)
    Publication Date: 2008-12-30
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Schiermeier, Quirin -- England -- Nature. 2008 Nov 27;456(7221):540-1. doi: 10.1038/nj7221-540a.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/19112617" target="_blank"〉PubMed〈/a〉
    Keywords: Animals ; Conservation of Natural Resources/trends ; *Ecosystem ; Employment/statistics & numerical data ; Engineering ; Greenhouse Effect ; Industry/manpower ; Marine Biology/manpower/trends ; Oceanography/education/*manpower/*trends ; Oceans and Seas ; Petroleum ; Physics
    Print ISSN: 0028-0836
    Electronic ISSN: 1476-4687
    Topics: Biology , Chemistry and Pharmacology , Medicine , Natural Sciences in General , Physics
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  • 26
    Publication Date: 2009-08-21
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Reich, Eugenie Samuel -- England -- Nature. 2009 Aug 20;460(7258):949. doi: 10.1038/460949c.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Cambridge, Massachusetts 02139, USA eugenie.reich@gmail.com.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/19693062" target="_blank"〉PubMed〈/a〉
    Keywords: Physics ; Risk ; Science/*standards ; *Scientific Misconduct ; *Whistleblowing
    Print ISSN: 0028-0836
    Electronic ISSN: 1476-4687
    Topics: Biology , Chemistry and Pharmacology , Medicine , Natural Sciences in General , Physics
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  • 27
    Publication Date: 2009-02-20
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Tollefson, Jeff -- England -- Nature. 2009 Feb 19;457(7232):942-3. doi: 10.1038/457942b.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/19225485" target="_blank"〉PubMed〈/a〉
    Keywords: Animals ; Engineering ; *Federal Government ; Fishes ; *Greenhouse Effect ; History, 20th Century ; History, 21st Century ; Hobbies/history ; Marine Biology ; Physics ; *Research Personnel ; United States ; United States Government Agencies/*organization & administration ; Wine
    Print ISSN: 0028-0836
    Electronic ISSN: 1476-4687
    Topics: Biology , Chemistry and Pharmacology , Medicine , Natural Sciences in General , Physics
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  • 28
    Publication Date: 2005-05-28
    Description: The typical scales for plant and fungal movements vary over many orders of magnitude in time and length, but they are ultimately based on hydraulics and mechanics. We show that quantification of the length and time scales involved in plant and fungal motions leads to a natural classification, whose physical basis can be understood through an analysis of the mechanics of water transport through an elastic tissue. Our study also suggests a design principle for nonmuscular hydraulically actuated structures: Rapid actuation requires either small size or the enhancement of motion on large scales via elastic instabilities.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Skotheim, Jan M -- Mahadevan, L -- New York, N.Y. -- Science. 2005 May 27;308(5726):1308-10.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Applied Mathematics and Theoretical Physics, Centre for Mathematical Sciences, University of Cambridge, Cambridge CB3 0WA, UK.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/15919993" target="_blank"〉PubMed〈/a〉
    Keywords: Cell Wall/physiology ; Droseraceae/anatomy & histology/physiology ; Elasticity ; Euphorbiaceae/anatomy & histology/physiology ; Fungi/cytology/*physiology ; Mathematics ; Movement ; Mucorales/cytology/physiology ; Physical Phenomena ; Physics ; Plant Leaves/*physiology ; *Plant Physiological Phenomena ; Plants/anatomy & histology ; Pressure ; Time Factors ; Viscosity ; Water/*physiology
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 29
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2005-09-17
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Stone, Richard -- New York, N.Y. -- Science. 2005 Sep 16;309(5742):1802-4.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/16166490" target="_blank"〉PubMed〈/a〉
    Keywords: Astronomical Phenomena ; Astronomy ; *Biotechnology ; Iran ; *Islam ; Physical Phenomena ; Physics ; Publishing ; *Research ; *Science
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 30
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2005-01-22
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Irion, Robert -- New York, N.Y. -- Science. 2005 Jan 21;307(5708):340-2.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/15661986" target="_blank"〉PubMed〈/a〉
    Keywords: *Academies and Institutes ; *Foundations ; History, 20th Century ; History, 21st Century ; Nanotechnology ; Neurosciences ; Norway ; Physics ; Research ; Research Support as Topic ; United States
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 31
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2005-12-24
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉New York, N.Y. -- Science. 2005 Dec 23;310(5756):1885.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/16373543" target="_blank"〉PubMed〈/a〉
    Keywords: Animals ; Birds ; Cosmic Radiation ; Environmental Microbiology ; Gravitation ; Humans ; Physical Phenomena ; Physics ; Rna ; Research/*trends
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 32
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 1996-02-09
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Taubes, G -- New York, N.Y. -- Science. 1996 Feb 9;271(5250):767-8.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/8628989" target="_blank"〉PubMed〈/a〉
    Keywords: Behavioral Sciences ; *Computer Communication Networks ; Costs and Cost Analysis ; Peer Review, Research ; *Periodicals as Topic/economics/standards ; Physical Phenomena ; Physics ; *Publishing/economics/standards
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 33
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2006-12-23
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉New York, N.Y. -- Science. 2006 Dec 22;314(5807):1854-5.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/17185569" target="_blank"〉PubMed〈/a〉
    Keywords: Animals ; Astronomical Phenomena ; Astronomy ; Climate ; Fossils ; Genome ; Genome, Human ; Genomics ; Hominidae ; Humans ; Lasers ; Physical Phenomena ; Physics ; Primates/genetics ; *Science
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 34
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2006-12-23
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉New York, N.Y. -- Science. 2006 Dec 22;314(5807):1850-5.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/17185566" target="_blank"〉PubMed〈/a〉
    Keywords: Animals ; Fishes ; Fossils ; Genetic Speciation ; Hominidae/genetics ; Humans ; Ice Cover ; Macular Degeneration/drug therapy/genetics ; Memory ; Microscopy/methods ; Paleontology ; Physical Phenomena ; Physics ; RNA/chemistry ; *Science ; Sequence Analysis, DNA
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 35
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2007-12-22
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉New York, N.Y. -- Science. 2007 Dec 21;318(5858):1848-9.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/18096775" target="_blank"〉PubMed〈/a〉
    Keywords: Animals ; Bacteria/genetics ; Forecasting ; Genetics, Microbial ; Genomics ; Humans ; MicroRNAs ; Neural Pathways ; Physical Phenomena ; Physics ; *Science
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 36
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2007-12-22
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉New York, N.Y. -- Science. 2007 Dec 21;318(5858):1844-5.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/18096773" target="_blank"〉PubMed〈/a〉
    Keywords: Animals ; Climate ; Forecasting ; Genetic Predisposition to Disease ; Hominidae ; Humans ; Physical Phenomena ; Physics ; Primates/genetics ; *Science ; Spacecraft
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 37
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2007-12-22
    Description: The runners-up for 2007's Breakthrough of the Year include advances in cellular and structural biology, astrophysics, physics, immunology, synthetic chemistry, neuroscience, and computer science.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉New York, N.Y. -- Science. 2007 Dec 21;318(5858):1844-9.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/18096772" target="_blank"〉PubMed〈/a〉
    Keywords: Algorithms ; Animals ; Cellular Reprogramming ; Chemical Phenomena ; Chemistry ; Cosmic Radiation ; Humans ; Imagination ; Memory ; Physical Phenomena ; Physics ; Pluripotent Stem Cells ; Receptors, Adrenergic, beta-2/chemistry ; *Science ; T-Lymphocyte Subsets/cytology/immunology
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 38
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2008-06-17
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Pain, Elisabeth -- New York, N.Y. -- Science. 2008 Jun 13;320(5882):1517. doi: 10.1126/science.320.5882.1517.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/18556565" target="_blank"〉PubMed〈/a〉
    Keywords: *Career Choice ; *Ecology/education ; Ecosystem ; Humans ; Interdisciplinary Communication ; Male ; Physical Phenomena ; Physics ; *Trees ; Tropical Climate
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 39
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2009-11-07
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Vogel, Gretchen -- New York, N.Y. -- Science. 2009 Nov 6;326(5954):788-91. doi: 10.1126/science.326_788.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/19892956" target="_blank"〉PubMed〈/a〉
    Keywords: *Academies and Institutes/economics/organization & administration ; Anthropology ; Biology ; Chemistry ; Germany ; Germany, East ; Physics ; Research Personnel ; Universities
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 1981-03-13
    Description: Great advances have been made in fundamental scientific research in recent years. The new knowledge gathered, in addition to deepening our understanding of the physical universe, contributes a range of abilities and opportunities to society that would not otherwise be available. Much research that may be called applied because it addresses needs of society is quite fundamental in character, and support of such research at the National Science Foundation is to be handled in tandem by the research directorates. Other areas that require a refocusing of support are engineering science and education, at all levels, in science and engineering. Increasing our strength in these areas is essential to achieve our national economic, social, and political goals. Steps are being taken by the National Science Foundation to make its structure better able to deal with engineering and applied research and to provide greater mutual reinforcement between applied and basic research.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Slaughter, J B -- New York, N.Y. -- Science. 1981 Mar 13;211(4487):1131-6.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/7466384" target="_blank"〉PubMed〈/a〉
    Keywords: Cell Biology ; Chemical Phenomena ; Chemistry ; *Forecasting ; Geological Phenomena ; Geology ; *Government Agencies ; Molecular Biology ; Neurochemistry ; Physical Phenomena ; Physics ; Research Support as Topic ; United States
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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    Publication Date: 2022-05-26
    Description: In 2001, the Geophysical Fluid Dynamics Summer Study Program grappled with Conceptual Models of the Climate. Eli Tziperman (Weizman Institute), Paola Cessi (Scripps Institution of Oceanography) and Ray Pierre- Humbert (University of Chicago) provided the principal lectures. This introduction gave us all a glimpse into the complex problem of the climate, both in the present, past and future, and even on other planets. As always, the next weeks of the program were filled with many seminars from the visitors, and culminated in the fellow's reports.
    Keywords: Climatic changes ; Physics
    Repository Name: Woods Hole Open Access Server
    Type: Technical Report
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 229-229 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 230-231 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 232-236 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 343-362 
    ISSN: 0886-9383
    Keywords: straight line calibration ; errors in both axes ; uncertainties ; linear regression ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Calibration is a fundamental step in the calculation of the unknown concentration of analyte in most analytical methods. It is known that for certain methodologies, if only the errors in the independent variable are taken into account, there may be considerable errors in the estimation of the value of the regression coefficients, the derived statistical parameters and in some cases the sought for response and concentration values. This paper reviews the calibration methods including some references to procedures for the detection of outliers and robust regression when there are errors in both axes. The advantages and limitations of the different approaches are discussed and a comparative study is made of the approaches of several techniques for which computer programmes have been developed based on the algorithms put forward by the different authors. Finally, some trends of future development in this field are envisaged.
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    Journal of Chemometrics 9 (1995), S. 363-372 
    ISSN: 0886-9383
    Keywords: PLS regression ; orthogonal expansion ; optimization ; Lagrange multipliers ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A simple iteration algorithm that is faster and less memory-intensive than the NIPALS iteration algorithm for PLS regression is presented. The iteration algorithm is obtained by treating the orthogonal expansion or decomposition of a matrix X as an extremum problem subject to normalization and orthogonality constraint conditions and then solving the problem by use of the method of Lagrange multipliers. The main idea in this method is to find the transformation vector r. The latent variable t is expressed exactly as the linear combination of X-variables with the vector r so that the final regression coefficients can be conveniently provided. In the algorithm the recursion of the orthogonal projection is needed, which is derived by use of a matrix inverse formula. Algorithms are established from the equation for calculating the vector r that are suitable for dealing with three cases of large data sets. The first case is when the number of objects is very large, the number of variables is relatively small and the number of Y-variables is equal to or greater than the number of X-variables. The second case is when the number of objects is very large, the number of variables is relatively small and the number of X-variables is greater than the number of Y-variables. The last case is when the number of variables, either X- or Y-variables, or both, is very large and the number of objects is small.
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    Journal of Chemometrics 9 (1995), S. 431-432 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 451-457 
    ISSN: 0886-9383
    Keywords: non-linear regression ; optimization ; robust methods ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Several robust regression methods, including a new proposal, are described and their properties discussed. Resistance to various types of outliers and non-normality is demonstrated. The techniques are applied to non-linear regression models from chemical kinetics and calibration. Optimization of the types of objective functions encountered when applying robust regression is considered.
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    ISSN: 0886-9383
    Keywords: PLS ; kernel algorithm ; multivariate calibration ; EM algorithm ; cross-validation ; missing data ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This is Part II of a series concerning the PLS kernel algorithm for data sets with many variables and few objects. Here the issues of cross-validation and missing data are investigated. Both partial and full crossvalidation are evaluated in terms of predictive residuals and speed and are illustrated on real examples. Two related approaches to the solution of the missing data problem are presented. One is a full EM algorithm and the second a reduced EM algorithm which applies when the number of missing values is small. The two examples are multivariate calibration data sets. The first set consists of UV-visible data measured on mixtures of four metal ions. The second example consists of FT-IR measurements on mixtures consisting of four different organic substances.
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    Journal of Chemometrics 9 (1995), S. 439-439 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995) 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    ISSN: 0886-9383
    Keywords: sequential response surface modelling ; Williamson ether synthesis ; SN2 ; optimization ; reaction kinetics ; reaction mechanism ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: In this work the utility of a new method for determining kinetic parameters by sequential response surface modelling, previously described (Part 1), is shown by applying it to an experimental study of a reaction with known kinetics. The nucleophilic substitution reaction between ethoxide and benzyl chloride, the Williamson ether synthesis, was selected as a model reaction. This reaction is known to proceed with second-order kinetics. The method gives access to estimates of initial reaction rate which can be further used to obtain estimates of activation energy and reaction order of reactants. The results obtained are in good agreement with the estimated values of these parameters obtained with conventional kinetic experiments.
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    Journal of Chemometrics 9 (1995), S. 483-487 
    ISSN: 0886-9383
    Keywords: fractional factorial design ; multiresponse ; PLS ; PCA ; reduced-rank regression ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper presents an interpretation of PLS applied to orthogonal explanatory variables. In particular, it is shown that in fractional factorial multiresponse experiments PLS2 gives identical results to ordinary least squares applied to principal components of the response variables. The general relationship is that the reduced-rank regression algorithm which first projects Y onto the X-space and then truncates this matrix by principal component analysis before performing ordinary least squares estimation gives the same predictor as PLS2 and SIMPLS if all the non-zero eigenvalues of XTX are identical.
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    Journal of Chemometrics 9 (1995), S. 471-481 
    ISSN: 0886-9383
    Keywords: batch prediction ; continuum regression ; multivariate calibration ; sequential prediction ; simultaneous prediction ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In analytical chemistry a single fitted calibration model is used repeatedly to predict the level of the analyte of interest for the specimens comprising the prediction set. Unlike the calibration (or training) set, which is often limited in size, the prediction set can be very large.In the case of multivariate calibration a number of methods such as PLS and PCR are commonly used to construct the calibration model. The set of instrumental measurements and the reference analyte level are available for each specimen in the calibration set. For specimens in the prediction set, only the instrumental measurements are available, since the problem is to predict the analyte level for these specimens. It is not widely recognized that predictions of the analyte levels for individual specimens can be improved by utilizing seemingly unrelated information from the instrumental measurements associated with the other members of the prediction set. In the case of PCR there exists a very straightforward procedure for doing this. A description of the various sources of prediction errors is provided to explain the ability of PCR to utilize this additional information. The use of PCR in this context is illustrated with both a synthetic and a real example.
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    Journal of Chemometrics 9 (1995), S. 531-531 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 509-520 
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    Keywords: canonical variates ; discriminant analysis ; partial least squares ; principal components ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new set of derived variables is proposed for exhibiting group separation in multivariate data on for preprocessing such data prior to discriminant analysis. The technique combines optimal features of canonical variate analysis and principal component analysis: the derived variables are linear combinations of the original variables that optimize the canonical variate criterion (ratio of between-group to within-group variance) but subject to the orthogonality constraints of principal components. In this formulation the canonical variates can be derived even when the within-group matrix is singular (i.e. when there are more variables than objects in the data matrix). A simple computational algorithm for extraction of these variables is proposed. The methods are illustrated on several data sets and compared with alternative techniques such as principal component analysis and partial least squares.
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    Journal of Chemometrics 9 (1995), S. 489-507 
    ISSN: 0886-9383
    Keywords: QSAR ; partial least squares ; robust regression ; CoMFA ; weighted regression ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A robust implementation of partial least squares (PLS) is developed in which the method of iteratively reweighted least squares is adapted for use with PLS. The result is a PLS algorithm which is robust to outliers and is easy to implement. Examples and case studies are presented, followed by two Monte Carlo studies designed to explore the behavior of the method.The paper begins with the motivation and intended applications for the procedure. A discussion is given of the method of interatively reweighted least squares (IRLS) for outlier detection. The procedure, given the name IRPLS, is then presented. Three case studies illustrate how the procedure works on various types of data and how it should be used. The first Monte Carlo study is designed to determine whether the IRPLS procedure correctly identifies multiple outliers in a wide variety of configurations. The second Monte Carlo study is designed to estimate the breakdown bound of the procedure.
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 309-322 
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    Keywords: simulated annealing ; messy genetic algorithms ; optimization of multimodal objective functions ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: The method of simulated annealing is modified so that the concept of messy chromosomes is applied. Constituent genes of messy chromosomes are specified by their respective names (indices) and values (alleles) simultaneously. Unlike simple chromosomes (binary vectors), messy chromosomes may be either under- or overspecified with respect to the problem being solved. The messy simulated annealing algorithm is a very robust and efficient stochastic optimization method which is able to find correct minima of deceptive or highly multimodal objective functions. This is shown by way of a number of simulations.
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    Journal of Chemometrics 9 (1995), S. 323-326 
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    Keywords: partial least squares ; biased regression ; ordinary least squares ; minimum length least squares ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: An algebraic proof is given that in partial least squares (PLS) regression the Euclidean length of the estimator is shrunk in comparison with the ordinary least squares estimator or with PLS estimators based on a larger number of dimensions.
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    Journal of Chemometrics 9 (1995), S. 329-330 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 389-409 
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    Keywords: multivariate image analysis ; principal component analysis ; exploratory data analysis ; projection in multivariate space ; graphical visualization ; noise ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Multivariate image analysis (MIA) is a powerful tool for many image segmentation and classification problems, but the interpretation and understanding of the original and resulting multidimensional (multivariate) data are not always easy. A strategy for MIA has been proposed which describes its usage on multivariate images for segmentation tasks. MIA starts with principal component analysis (PCA) and then continues with interactive analysis of the output from PCA. In this paper a number of extensions to MIA are proposed. The extensions are the suggestion to incorporate preprocessing of the multivariate image in MIA, the suggestion to use synthetic multivariate image models which create a clear-cut situation, and new visualization tools which improve the interactivity and understanding of the results. Extended MIA is applied on synthetic multivariate image data simulating a possible application with large noise, positron emission tomography (PET). As a result of the interactive analysis, suggestions for preprocessing emerge. The developed methodology for handling the noise is then applied on real PET image data with good results.
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 3-20 
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    Keywords: Deconvolution algorithms ; Instrumental analysis ; Spectrometry ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: Deconvolution algorithms for measurand reconstruction are considered. Their metrological and numerical properties are briefly characterized. Six algorithms most frequently used for instrumental applications are selected for closer analysis. Their comparative study is based on the use of spectrometric-type synthetic data, calorimetric-type synthetic data and spectrometric real-world data. Conclusions concerning computational complexity and accuracy of the compared algorithms as well as their metrological applicability are drawn.
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    Journal of Chemometrics 9 (1995), S. 67-68 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 125-135 
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    Keywords: Procrustean analysis ; FT-IR spectroscopy ; NIR spectroscopy ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Procrustean methods allow the fitting of a given matrix to another given matrix observed on the same objects. In the traditional approach orthogonal constraints are imposed upon the transformation matrix, whereas in the alternative approach Procrustean analysis may be performed without such constraints. The two methods (with and without constraints) were compared on data dealing with mid- and near-infrared spectra of oil. The aim was to reconstruct the mid-infrared spectral information using data from the near-infrared spectra. Unconstrained Procrustean analysis proved to be the more efficient for both the calibration and verification sets. Furthermore, the analysis of the transformation matrix between the two infrared ranges made it possible to indicate wavelengths and wave numbers corresponding to the same chemical groups.
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    Journal of Chemometrics 9 (1995), S. 139-141 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 1-2 
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    Journal of Chemometrics 9 (1995), S. 137-138 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 91-123 
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    Keywords: H-principle ; PCA ; PLS regression ; latent variable models ; quadratic models ; sensitivity analysis ; outlier tests ; prediction variances ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We present here an algorithmic approach to modelling data that includes principal component analysis (PCA) and partial least squares (PLS). In fact, the numerical algorithm presented can carry out PCA or PLS. The algorithm for linear analysis and extensions to non-linear analysis applies to both PCA and PLS. The algorithm allows for combination of PCA and PLS types of models and therefore extends modelling to new types of models that involve combination of regression models and ‘selection of variation’ models, which is the idea of PCA-type models. The fact that the algorithm carries out both PCA and PLS shows that PCA and PLS are based on the same theory. This theory is based on the H-principle of mathematical modelling. The algorithm allows tests for outliers, sensitivity analysis and tests of submodels. These aspects of the algorithm are treated in detail. We compute various measures of sizes, e.g. of components, of the covariance matrix, of its inverse, etc. that show how much the algorithm has selected at each step. The analysis is illustrated by data from practice.
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    Journal of Chemometrics 9 (1995), S. 69-89 
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    Keywords: chemometrics ; pattern recognition ; class modeling ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: Different estimators of the Mahalanobis distance (such as that based on the Defrise - Gussenhoven correction) are studied and compared with respect to the bias on the distance and the characteristics (sensitivity and specificity) of the class model.Results obtained using estimators with critical values from χ2-statistics are compared with those obtained using estimators with critical values from β-statistics (training set) and Hotelling statistics (evaluation set).Tables are reported for D-statistics (useful for simulating populations of two categories with selectable theoretical sensitivity and specificity) and for critical values of the Mahalanobis distance obtained from β-statistics.For objects of the training set the estimator of the Mahalanobis distance based on the estimate of the covariance matrix produces models with the optimum sensitivity. The same model has too low a sensitivity for objects of the model category in the evaluation set, but good specificity for objects of outer categories.The estimator with the Defrise-Gussenhoven correction produces enlarged models with too high a sensitivity for objects in the training set, good sensitivity for objects of the model category in the evaluation set and low specificity for objects of outer categories.
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  • 82
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    Journal of Chemometrics 9 (1995) 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 83
    ISSN: 0886-9383
    Keywords: pattern recognition ; infrared spectra ; factor analysis ; maximum likelihood method ; entropy of information ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The spectral region from 700 to 3600 cm-1 is subdivided into several wave number intervals. The peaks in each interval are summarized by means of three encoding algorithms. Using a factor model of kcommon factors, the total extractable variacnce (com) of a given set of intervals is calculated and correlated with the redundancy of information in all these intervals. The value of com is verified by analysis of the factor loadings aik (factor pattern). Finally, the information content of some chosen sets of intervals coded by the three selected feature algorithms will be correlated to the probability of information flow through a serial-parallel network. The encoding using only wave numbers was found to be the most effective.
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  • 84
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    Journal of Chemometrics 9 (1995), S. 59-66 
    ISSN: 0886-9383
    Keywords: Mathematical approximation ; Sigmoid curve ; Sensitometric curve ; Photographic material ; Non-linear regression ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper studies the application possibilities of various mathematical analytical functions to models of approximation of sigmoid sensitometric curves of photographic materials. The newly developed functions have been tested along with approximation functions taken from the literature: the former fulfil the statistical criteria of fitting the regression and experimental curve in the best way. The model functions can be used not only for objective determination of sensitometric quantities but also for determination of the general sensitivity (speed) of photographic materials.
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  • 85
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    Journal of Chemometrics 9 (1995), S. 169-178 
    ISSN: 0886-9383
    Keywords: minimum volume ellipsoid (MVE) estimators ; robust distance method ; pattern recognition ; Hotelling's T2 statistics ; near-infrared spectra ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method for pattern recognition analysis of near-infrared spectra has been developed using robust distances determined by minimum volume ellipsoid (MVE) estimators of multivariate location and scatter. Classical methods such as the Mahalanobis distance method often fail in the presence of a moderate number of outliers in a training data set, while robust distance methods can tolerate a considerably larger proportion of outliers in a training data set Outliers can be detected by their relatively large robust distances and can be excluded from a training set without a priori knowledge of the nature of the data set. In this paper the properties of a robust distance method are examined using near-infrared spectra of sulfamethoxazole and mixtures with its major degradation products, sulfanilic acid and sulfanilamide. The robust distance method successfully detected unacceptable samples (71.4%-89.3% (α = 0.05) or 78.6%-92.9% (α = 0.10)) even when they were inadvertently included in the training data set.
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  • 86
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    Journal of Chemometrics 9 (1995), S. 179-195 
    ISSN: 0886-9383
    Keywords: GRAM ; PARAFAC ; rank overlap ; second-order calibration ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: GRAM, a method for second-order calibration, has been introduced by Sanchez and Kowalski and later modified by Wilson, Sanchez and Kowalski. The methods are based on the claim that, in cases without measurement error they yield correct estimates for the concentration ratios and profiles of (rank-one) analytes present in sample and mixture. This claim has not been proven rigorously. In the present paper, rigorous proofs are given for situations where the claims are valid indeed. In addition, it is shown that PARAFAC, an alternative method for second-order calibration, can be used to obtain the same results. Next it is shown that the claims do not hold in cases with ‘rank overlap’ (partly overlapping profiles) and it is proven that a procedure by Wang et al. can still be used to assess some of the concentration ratios. A general framework is provided for a variety of second-order calibration problems and the extent to which quantitative and qualitative information can be expected is given.
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  • 87
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    Journal of Chemometrics 9 (1995), S. 223-225 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 88
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    Journal of Chemometrics 9 (1995), S. 197-209 
    ISSN: 0886-9383
    Keywords: proficiency test ; true value ; homogeneity robust statistic ; standard ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Profficiency tests raise two types of problems: (i) the homogeneity of a sample must be carefully checked before using it as a reference material; (ii) it is necessary to define a conventional reference value (RV) in order to rank participants. Since these topics are poorly addressed in the literature, a reference material was specially prepared in order to propose a procedure for verifying homogeneity and to establish whether the algorithms classically used to compute the conventional true value have an influence on the conclusion of the test.The homogeneity of the sample was not perfect and univariate and multivariate techniques were used to demonstrate some analytes can be suspected as heterogeneous. However, this was considered adequate for introducing the sample in a large proficiency test organized between four laboratory associations which regularly perform such tests. Altogether more than 3000 measurements were collected and eight algorithms were applied to compute the RV on 14 analytes. Thus is was possible to demonstrate that some of these algorithms are better adapted than others. It is also obvious that some analytes are better suited to proficiency testing.It can be concluded from this work that some effort towards standardization would be profitable to check homogeneity or to compute the RV, especially since the economic weight of proficiency testing is becoming even more important with the development of certification accreditation.
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  • 89
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    Journal of Chemometrics 9 (1995), S. 423-430 
    ISSN: 0886-9383
    Keywords: PLS ; neural network ; training ; interpretable ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This communication describes the combination of a feedforward neural network (NN) with one hidden neuron and partial least squares (PLS) regression. Through training of the neural network with an algorithm that is a combination of a modified simplex, PLS and certain numerical restrictions, one gains an NN solution that has several feasible properties: (i) as in PLS the solution is qualitatively interpretable; (ii) it works faster than or comparably with ordinary training algorithms for neural networks; (iii) it contains the linear solution as a limiting case. Another very important aspect of this training algorithm is the fact that outlier detection as in ordinary PLS is possible through loadings, scores and residuals. The algorithm is used on a simple non-linear problem concerning fluorescence spectra of white sugar solutions.
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  • 90
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    Journal of Chemometrics 9 (1995), S. 21-29 
    ISSN: 0886-9383
    Keywords: Near-infrared absorbance ; Partial least squares ; Principal component regression ; Root-mean-square error of prediction ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The use of principal component regression (PCR) as a multivariate calibration method has been discussed by a number of authors. In most situations principal components are included in the regression model in sequence based on the variances of the components, and the principal components with small variances are rarely used in regression. As pointed out by some authors, a low variance for a component does not necessarily imply that the corresponding component is unimportant, especially when prediction is of primary interest. In this paper we investigate a different version of PCR, correlation principal component regression (CPCR). In CPCR the importance of principal components in terms of predicting the response variable is used as a basis for the inclusion of principal components in the regression model. Two typical examples arising from calibrating near-infrared (NIR) instruments are discussed for the comparison of the two different versions of PCR along with partial least squares (PLS), a commonly used regression approach in NIR analysis. In both examples the three methods show similar optimal prediction ability, but CPCR performs better than standard PCR and PLS in terms of the number of components needed to achieve the optimal prediction ability. Similar results are also seen in other NIR examples.
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  • 91
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    Journal of Chemometrics 9 (1995), S. 31-58 
    ISSN: 0886-9383
    Keywords: Multivariate curve resolution ; Three-way data analysis ; Factor analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new multivariate curve resolution method is presented and tested with data of various levels of complexity. Rotational and intensity ambiguities and the effect of selectivity on resolution are the focus. Analysis of simulated data provides the general guidelines concerning the conditions for uniqueness of a solution for a given problem. Multivariate curve resolution is extended to the analysis of three-way data matrices. The particular case of three-way data where only one of the orders is common between slices is studied in some detail.
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  • 92
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    Journal of Chemometrics 9 (1995), S. 239-262 
    ISSN: 0886-9383
    Keywords: industrial experimentation ; parameter design ; quality by design ; robust design ; Taguchi method ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The aim of this paper is to present a simple structured review of the different approaches to robust process design to clarify their similarities and dissimilarities. It is primarily written for practitioners who wish to understand and compare the main ideas of each approach and to apply them to their work. Two examples are used to illustrate the different approaches and their corresponding data analysis strategies: the first one is a constructed example on a pigment kneading process and the second one is real example dealing with the validation of an HPLC method. A comparison of the different approaches is provided and some practical recommendations are formulated.
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  • 93
    ISSN: 0886-9383
    Keywords: multiway data ; standard addition method ; calibration ; matrix effects ; trilinear decomposition ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Presented here is an algorithm for analysis of second order data by the method of standard additions. The method of standard additions is applicable when matrix effects make traditional calibration unreliable. The algorithm employs a generalized eigenproblem to mathematically separate the instrument response of the analyte from the instrument response of any interfering species. A scheme for determining the eigenvectors (and hence the concentration estimate) that uniquely correspond to the analyte of interest is given. These eigenvectors can readily be distinguished from any eigenvector that corresponds to the spectrum of the interferents or both the interferents and analyte. The stability of the estimated analyte concentration is verified by Monte Carlo simulations. The algorithm is applied to the analysis of trichloroethylene in samples that have matrix effects caused by an interaction with chloroform.
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  • 94
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    Journal of Chemometrics 9 (1995), S. 283-308 
    ISSN: 0886-9383
    Keywords: simulated annealing ; threshold acceptance ; wavelength selection ; selectivity ; optimization ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Simulated annealing (SA) is a stochastic search method that has been applied to combinatorial search problems in chemometrics. Unlike strict iterative improvement methods, SA tolerates temporary moves to detrimental parameter configurations during an optimization. The method used by SA to decide whether or not to accept detrimental steps is a special case of a more general acceptance rule. The present work investigates the performance of various SA-type algorithms that differ only in the acceptance rule for detrimental steps when optimizing continuous or discrete problems. A method for step width modulation is introduced to overcome the poor ability of SA type algorithms to locate the exact extreme of a function. The studied search strategies are modified for the discrete problem of wavelength selection. In order to evaluate SA-type algorithms and their abilities to deal with the wavelength selection problem, two global measures of selectivity are used as criteria to determine the most suitable wavelength subset that maximizes selectivity for pure component ultraviolet-visible spectra.
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  • 95
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    Journal of Chemometrics 9 (1995), S. 327-328 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 96
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    Journal of Chemometrics 9 (1995), S. ii 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 97
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    Journal of Chemometrics 9 (1995), S. 331-342 
    ISSN: 0886-9383
    Keywords: partial least squares (PLS) ; variable selection ; IVS-PLS ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: With the aim of developing PLS models with improved predictive properties, an interactive variable selection (IVS) approach for PLS regression was introduced in Part I of this series. IVS-PLS is based on a dimension-wise selective removal of single elements in the PLS weight vector w. IVS uses cross-validation (CV) as a guiding tool. The present paper illustrates the use of IVS-PLS on both simulated data and real examples from chemistry. In the first example, spectrophotometric data were simulated according to an experimental design. The objective was to see how IVS-PLS was influenced by different levels of noise in X and Y and by the number of predictor variables (K). The results of the modelling are shown as response surfaces. In addition, four real examples were modelled by the IVS-PLS technique. The real data sets were chosen to reflect different types of data from chemistry. For each example a comparison of ‘prediction error sum of squares’ (PRESS) between IVS-PLS and classical PLS is madeFor most of the examples containing many predictor variables IVS-PLS shows an improvement in predictive properties over classical PLS. Also, improvements for IVS-PLS2 (modelling of more than one y-variable) models were found. For data sets with a moderate number of variables the influence of the IVS method becomes less pronounced.
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  • 98
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    Journal of Chemometrics 9 (1995), S. 373-387 
    ISSN: 0886-9383
    Keywords: robust regression ; outliers ; spectroscopy ; calibration ; MASBR (maximum sum of binary coded residuals) ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this paper, a novel robust regression method, the maximum sum of binary coded residuals (MASBR), is proposed. Instead of the sum of squared residuals used in least squares regression as the minimization criterion, MASBR regression maximizes the sum of binary coded residuals. MASBR regression is designed for cases where the conventional robust regression methods with breakdown points less than 50% fail. To circumvent the problem of being trapped in local optima, a stepwise-varying acceptable error limit (SVAEL) algorithm is proposed. Both numerical simulation and treatment of real analytical data demonstrate the feasibility of MASBR regression in conjunction with the SVAEL algorithm.
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  • 99
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    Journal of Chemometrics 9 (1995), S. 411-422 
    ISSN: 0886-9383
    Keywords: gasoline ; classification ; multiple regression ; non-correlated variables ; accuracy of measurements ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A procedure for the classification of motor gasolines by their trend to carburettor icing has been proposed. For this goal a set of regression models was employed. Motor gasoline classification was carried out in terms of the isopropyl equivalent using seven physicochemical properties.
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  • 100
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    Journal of Chemometrics 9 (1995), S. 226-228 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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