Chemoinformatics - predicting the physicochemical properties of 'drug-like' molecules

被引：98

作者：

Blake, JF ^{[1
]}

机构：

[1] Pfizer Inc, Groton, CT 06340 USA

来源：

CURRENT OPINION IN BIOTECHNOLOGY | 2000年 / 11卷 / 01期

关键词：

D O I：

10.1016/S0958-1669(99)00062-2

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

A few major advances have occurred in the area of physicochemical modeling of organic compounds during the past several years, spurred on by changes in the pharmaceutical industry. Recent advances include the ability to categorize and screen the overall physicochemical properties of potential drug candidates based entirely on their molecular structures and the ability to model the components that contribute to the oral absorption characteristics of potential drug candidates.

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页码：104 / 107

页数：4

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