Use of a Modified Nonlinear Mapping Method in Quantitative Structure Retention Relationship Study
作者:
E. Forgács,
A. Kósa,
G. Csiktusnádi Kiss,
T. Cserhati,
R. Kaliszan,
P. Haber,
A. Nasal,
期刊:
Journal of Liquid Chromatography & Related Technologies
(Taylor Available online 1998)
卷期:
Volume 21,
issue 16
页码: 2523-2534
ISSN:1082-6076
年代: 1998
DOI:10.1080/10826079808003596
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
The interaction of 20 nonsteroidal anti-inflammatory drugs with a model protein was studied by reversed-phase high-performance liquid chromatography and the relationship between the strength of interaction and the physicochemical parameters of drugs was elucidated by principal component analysis followed by modified nonlinear mapping and cluster analysis. It was established that the polarity and and sterical parameters of drugs exert the highest influence on the interaction. Cluster analysis and nonlinear mapping using the absolute values of principal component loadings explain more precisely the interaction than the traditional nonlinear mapping and cluster analysis do.
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