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Development of new agrochemicals by quantitative structure-activity relationship (QSAR) methodology. III. 3D QSAR methodologies and computer-assisted molecular design (CAMD)  

Sung, Nack-Do (Dividion of Applied Biology & Chemistry, College of Agriculture & Life Sciences, Chungnam National University)
Publication Information
The Korean Journal of Pesticide Science / v.7, no.1, 2003 , pp. 1-11 More about this Journal
Abstract
Acoording to improvement of HTOS (high throughput organic synthesis) and HTS (high throughput screening) technique, the CoMFA (comparative molecular field analysis), CoMSIA (comparative molecular similarity indeces analysis) and molecular HQSAR (hologram quantitative structure-activity relationship) analysis techniques as methodology of computer assisted molecular design (CAMD) were introduced generally and summarized for some application cases.
Keywords
Computer-assisted molecular design (CAMD); comparative molecular field analysis (CoMFA); comparative molecular similarity indices analysis (CoMSIA); hologram quantitative structure-activity relationship (HQSAR); 3D QSAR;
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