ATOM PAIRS AS MOLECULAR-FEATURES IN STRUCTURE ACTIVITY STUDIES - DEFINITION AND APPLICATIONS

被引：746

作者：

CARHART, RE ^{[1
]}

SMITH, DH ^{[1
]}

VENKATARAGHAVAN, R ^{[1
]}

机构：

[1] AMER CYANAMID CO, LEDERLE LABS, PEARL RIVER, NY 10965 USA

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1985年 / 25卷 / 02期

关键词：

D O I：

10.1021/ci00046a002

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：64 / 73

页数：10

共 50 条

[31]

MOREAU G, 1980, NOUV J CHIM, V4, P359

[32]

MORITA K, 1979, KAGAKU ZOKAN KYOTO, V79, P141

[33]

RAEVSKY OA, 1982, KHIM FARM ZH+, V16, P968

[34] GRAPH THEORETICAL APPROACH TO RECOGNITION OF STRUCTURAL SIMILARITY IN MOLECULES [J].

RANDIC, M ;

WILKINS, CL .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1979, 19 (01) :31-37

[35] USE OF SELF-AVOIDING PATHS FOR CHARACTERIZATION OF MOLECULAR GRAPHS WITH MULTIPLE BONDS [J].

RANDIC, M ;

BRISSEY, GM ;

SPENCER, RB ;

WILKINS, CL .

COMPUTERS & CHEMISTRY, 1980, 4 (01) :27-43

[36] SEARCH FOR ALL SELF-AVOIDING PATHS FOR MOLECULAR GRAPHS [J].

RANDIC, M ;

BRISSEY, GM ;

SPENCER, RB ;

WILKINS, CL .

COMPUTERS & CHEMISTRY, 1979, 3 (01) :5-13

[37]

SMITH DH, 1983, 186TH NAT M AM CHEM

[38]

TABACHNICK BG, 1983, USING MULTIVARIATE S

[39] RELATING MUTAGENICITY TO CHEMICAL-STRUCTURE [J].

TINKER, J .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1981, 21 (01) :3-7

[40] CHANCE FACTORS IN STUDIES OF QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS [J].

TOPLISS, JG ;

EDWARDS, RP .

JOURNAL OF MEDICINAL CHEMISTRY, 1979, 22 (10) :1238-1244

← 1 2 3 4 5 →