NEURAL NETWORKS STUDIES - QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP OF MUTAGENIC AROMATIC NITRO-COMPOUNDS

被引：24

作者：

VILLEMIN, D

CHERQAOUI, D

CENSE, JM

机构：

[1] ECOLE NATL SUPER CHIM PARIS, 11 RUE P & M CURIE, F-75005 PARIS, FRANCE

[2] ECOLE NATL SUPER INGN CAEN, ISMRA, CNRS, URA 480, F-14050 CAEN, FRANCE

来源：

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE | 1993年 / 90卷 / 7-8期

关键词：

STRUCTURE-ACTIVITY RELATIONSHIP; MUTAGENIC COMPOUNDS; NEURAL NETWORKS; MULTILINEAR REGRESSION;

D O I：

10.1051/jcp/1993901505

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

The application of neural networks to the study of quantitative structure-activity relationship (QSAR) of mutagenic aromatic and heteroaromatic nitro compounds is reported. The results obtained are compared with the results given by a multiple linear regression. It is shown that neural networks prediction is more accurate than regression analysis prediction.

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页码：1505 / 1519

页数：15

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