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Nonlinear dependence in comparative molecular field analysis

Authors :
Ki H. Kim
Source :
Journal of Computer-Aided Molecular Design. 7:71-82
Publication Year :
1993
Publisher :
Springer Science and Business Media LLC, 1993.

Abstract

The applicability of the comparative molecular field analysis (CoMFA) approach to describe the nonlinear dependence of biological activity on lipophilicity in 3D quantitative structure-activity relationships (QSAR) has been demonstrated. The results indicate that the CoMFA approach is appropriate for describing nonlinear effects in 3D QSAR studies.

Subjects

Subjects :
Models, Molecular
Quantitative structure–activity relationship
Bacteria
Molecular Structure
Stereochemistry
Chemistry
Field analysis
Computer Science Applications
Structure-Activity Relationship
Nonlinear system
Drug Design
Drug Discovery
Lipophilicity
Thermodynamics
Physical and Theoretical Chemistry
Benzalkonium Compounds
Biological system

Details

ISSN :
15734951 and 0920654X
Volume :
7
Database :
OpenAIRE
Journal :
Journal of Computer-Aided Molecular Design
Accession number :
edsair.doi.dedup.....1aba693c771a90c190458cfec43b3b58
Full Text :
https://doi.org/10.1007/bf00141576
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