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神经网络的应用：2,4-二氨基-5-（取代苄基）嘧啶衍生物作为二氢叶酸还原酶抑制剂的定量构效关系

Application of neural networks: quantitative structure-activity relationships of the derivatives of 2,4-diamino-5-(substituted-benzyl)pyrimidines as DHFR inhibitors.

作者信息

So S S, Richards W G

机构信息

Physical Chemistry Laboratory, Oxford, United Kingdom.

出版信息

J Med Chem. 1992 Aug 21;35(17):3201-7. doi: 10.1021/jm00095a016.

DOI:10.1021/jm00095a016
PMID:1507206
Abstract

A comparative study of quantitative structure-activity relationships involving diaminopyrimidines as DHFR inhibitors using regression analysis and the neural-network approach suggests that the neural network can outperform traditional methods. The technique permits the highlighting the functional form of those parameters which have an influence on the biological activity.

摘要

一项使用回归分析和神经网络方法对作为二氢叶酸还原酶（DHFR）抑制剂的二氨基嘧啶进行定量构效关系的比较研究表明，神经网络的性能优于传统方法。该技术能够突出那些对生物活性有影响的参数的函数形式。

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