Publikationsdatum:
2014-09-28
Beschreibung:
The paper investigates relationships between chemical structure, surface active properties and antibacterial activity of 70 bis-quaternary imidazolium chlorides. Chemical structure and properties of imidazolium chlorides were described by 7 condition attributes and antimicrobial properties were mapped by a decision attribute. Dominance-based Rough Set Approach (DRSA) was applied to discover a priori unknown rules exhibiting monotonicity relationships in the data, which hold in some parts of the evaluation space. Strong decision rules discovered in this way may enable creating prognostic models of new compounds with favorable antimicrobial properties. Moreover, relevance of the attributes estimated from the discovered rules allows to distinguish which of the structure and surface active properties describe compounds that have the most preferable and the least preferable antimicrobial properties. Content Type Journal Article Pages 315-330 DOI 10.3233/FI-2014-1046 Authors Łukasz Pałkowski, Nicolaus Copernicus University, Collegium Medicum, Department of Pharmaceutical Technology, Jurasza 2, 85-089 Bydgoszcz, Poland. {lukaszpalkowski, jerzy.krysinski}@cm.umk.pl Jerzy Krysiński, Nicolaus Copernicus University, Collegium Medicum, Department of Pharmaceutical Technology, Jurasza 2, 85-089 Bydgoszcz, Poland. {lukaszpalkowski, jerzy.krysinski}@cm.umk.pl Jerzy Błaszczyński, Poznań University of Technology, Institute of Computing Science, Piotrowo 2, 60-965 Poznań, Poland. {jblaszczynski, rslowinski}@cs.put.poznan.pl Roman Słowiński, Poznań University of Technology, Institute of Computing Science, Piotrowo 2, 60-965 Poznań, Poland. {jblaszczynski, rslowinski}@cs.put.poznan.pl Andrzej Skrzypczak, Poznań University of Technology, Institute of Chemical Technology, Skłodowskiej-Curie 2, 60-965 Poznań, Poland Jan Błaszczak, Poznań University of Technology, Institute of Chemical Technology, Skłodowskiej-Curie 2, 60-965 Poznań, Poland Eugenia Gospodarek, Nicolaus Copernicus University, Collegium Medicum, Department of Microbiology, Skłodowskiej-Curie 9, 85-094 Bydgoszcz, Poland Joanna Wróblewska, Nicolaus Copernicus University, Collegium Medicum, Department of Microbiology, Skłodowskiej-Curie 9, 85-094 Bydgoszcz, Poland Journal Fundamenta Informaticae Online ISSN 1875-8681 Print ISSN 0169-2968 Journal Volume Volume 132 Journal Issue Volume 132, Number 3 / 2014
Print ISSN:
0169-2968
Digitale ISSN:
1875-8681
Thema:
Informatik
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