New 3D molecular descriptors: The WHIM theory and QSAR applications

被引：121

作者：

Todeschini, R ^{[1
]}

Gramatica, P ^{[1
]}

机构：

[1] Dept Environm Sci, I-20126 Milan, Italy

来源：

PERSPECTIVES IN DRUG DISCOVERY AND DESIGN | 1998年 / 9-11卷

关键词：

D O I：

10.1023/A:1027284627085

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

引用

页码：355 / 380

页数：26

共 47 条

[1]

[Anonymous], 3D QSAR DRUG DESIGN

[2]

*AUT INC, 1995, CHEMPLUS

[3]

*AUT INC, 1995, HYPERCHEM

[4]

BASAK SC, 1990, EURO CH ENV, V1, P83

[5] A NEW METHOD FOR THE ESTIMATION OF PARTITION-COEFFICIENT [J].

BODOR, N ;

GABANYI, Z ;

WONG, CK .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1989, 111 (11) :3783-3786

[6] A HYPOTHESIS ON THE MECHANISM OF PCDD BIOLOGICAL-ACTIVITY BASED ON MOLECULAR ELECTROSTATIC POTENTIAL MODELING .2. [J].

BONATI, L ;

FRASCHINI, E ;

LASAGNI, M ;

MODONI, EP ;

PITEA, D .

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1995, 340 :83-95

[7]

BONCHEV D, 1983, INFORMATION THEORETI

[8] MS-WHIM, new 3D theoretical descriptors derived from molecular surface properties: A comparative 3D QSAR study in a series of steroids [J].

Bravi, G ;

Gancia, E ;

Mascagni, P ;

Pegna, M ;

Todeschini, R ;

Zaliani, A .

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 1997, 11 (01) :79-92

[9]

CHIORBOLI C, 1997, IN PRESS SAR QSAR EN

[10]

COLOMBO S, 1996, THESIS U MILAN

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