APPLICATION OF NEURAL NETWORKS - QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS OF THE DERIVATIVES OF 2,4-DIAMINO-5-(SUBSTITUTED-BENZYL)PYRIMIDINES AS DHFR INHIBITORS

被引：160

作者：

SO, SS ^{[1
]}

RICHARDS, WG ^{[1
]}

机构：

[1] PHYS CHEM LAB,S PARKS RD,OXFORD OX1 3QZ,ENGLAND

来源：

JOURNAL OF MEDICINAL CHEMISTRY | 1992年 / 35卷 / 17期

关键词：

D O I：

10.1021/jm00095a016

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

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.

引用

收藏

页码：3201 / 3207

页数：7

相关论文

共 14 条

[1] APPLICATIONS OF NEURAL NETWORKS IN QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS OF DIHYDROFOLATE-REDUCTASE INHIBITORS [J].

ANDREA, TA ;

KALAYEH, H .

JOURNAL OF MEDICINAL CHEMISTRY, 1991, 34 (09) :2824-2836

[2]

[Anonymous], 1991, INTRO THEORY NEURAL, DOI DOI 10.1201/9780429499661

[3] NEURAL NETWORKS APPLIED TO PHARMACEUTICAL PROBLEMS .3. NEURAL NETWORKS APPLIED TO QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP ANALYSIS [J].

AOYAMA, T ;

SUZUKI, Y ;

ICHIKAWA, H .

JOURNAL OF MEDICINAL CHEMISTRY, 1990, 33 (09) :2583-2590

[4] NEURAL NETWORKS APPLIED TO STRUCTURE-ACTIVITY-RELATIONSHIPS [J].

AOYAMA, T ;

SUZUKI, Y ;

ICHIKAWA, H .

JOURNAL OF MEDICINAL CHEMISTRY, 1990, 33 (03) :905-908

[5] COMPARATIVE MOLECULAR-FIELD ANALYSIS (COMFA) .1. EFFECT OF SHAPE ON BINDING OF STEROIDS TO CARRIER PROTEINS [J].

CRAMER, RD ;

PATTERSON, DE ;

BUNCE, JD .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (18) :5959-5967

[6] APPLICATIONS OF NEURAL NETWORKS IN CHEMISTRY .1. PREDICTION OF ELECTROPHILIC AROMATIC-SUBSTITUTION REACTIONS [J].

ELROD, DW ;

MAGGIORA, GM ;

TRENARY, RG .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1990, 30 (04) :477-484

[7]

Freund JE., 1988, MODERN ELEMENTARY ST

[8] COMPARISON OF THE INHIBITION OF ESCHERICHIA-COLI AND LACTOBACILLUS-CASEI DIHYDROFOLATE-REDUCTASE BY 2,4-DIAMINO-5-(SUBSTITUTED-BENZYL)PYRIMIDINES - QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIPS, X-RAY CRYSTALLOGRAPHY, AND COMPUTER-GRAPHICS IN STRUCTURE ACTIVITY ANALYSIS [J].

HANSCH, C ;

LI, RL ;

BLANEY, JM ;

LANGRIDGE, R .

JOURNAL OF MEDICINAL CHEMISTRY, 1982, 25 (07) :777-784

[9]

LIVINGSTONE DJ, UNPUB REGRESSION ANA

[10]

MANALLACK DT, UNPUB CHANCE EFFECTS