一种用于研究醛糖还原酶抑制剂中与药物-受体相互作用相关结构部分的人工智能方法。
An artificial intelligence approach to the study of the structural moieties relevant to drug-receptor interactions in aldose reductase inhibitors.
作者信息
Klopman G, Buyukbingol E
机构信息
Case Western Reserve University, Department of Chemistry, Cleveland, Ohio 44106.
出版信息
Mol Pharmacol. 1988 Dec;34(6):852-62.
PMID:3143909
Abstract
The computer-automated structure evaluation program has been used to study 482 compounds relevant to the inhibition of the aldose reductase enzyme. Major activating/inactivating fragments were generated automatically. The significance of these molecular descriptors with respect to the activity of the compounds is discussed.
摘要
计算机自动化结构评估程序已被用于研究482种与醛糖还原酶抑制相关的化合物。主要的活化/失活片段是自动生成的。讨论了这些分子描述符与化合物活性的相关性。
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