ISSN:
1572-8951
Keywords:
Quantum similarity measures
;
density functions
;
triple density similarity measures
;
structure-property relationships
;
molecular quantum engineering
;
point-molecules
;
molecular point clouds
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract A newquantum similarity measure is defined. It is proposed as a way to project density functions from infinite dimensional spaces, where density functions belong, to finite dimensional ones. The procedure allows the representation of a given molecule initially described in terms ofnth order density functions as a point in a finite dimensional Euclidean space: apoint-molecule. Further manipulation of the obtained information permits the representation of a molecular set as a cloud of points: amolecular point cloud, in a variety of graphical manners. A previous experience in the field is compared with this new approach.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00999522
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