A NEW APPROACH TO STRUCTURE-ACTIVITY USING DISTANCE INFORMATION-CONTENT OF GRAPH VERTICES - A STUDY WITH PHENYLALKYLAMINES

被引:17
作者
KLOPMAN, G [1 ]
RAYCHAUDHURY, C [1 ]
HENDERSON, RV [1 ]
机构
[1] CASE WESTERN RESERVE UNIV,DEPT CHEM,CLEVELAND,OH 44106
关键词
D O I
10.1016/0895-7177(88)90570-5
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
引用
收藏
页码:635 / 640
页数:6
相关论文
共 24 条
[1]   COMPARATIVE-STUDY OF LIPOPHILICITY VERSUS TOPOLOGICAL MOLECULAR DESCRIPTORS IN BIOLOGICAL CORRELATIONS [J].
BASAK, SC ;
HARRISS, DK ;
MAGNUSON, VR .
JOURNAL OF PHARMACEUTICAL SCIENCES, 1984, 73 (04) :429-437
[2]  
BASAK SC, 1986, IN PRESS DISCRETE AP
[3]  
BONCHEV D, 1983, INFORMATION THEORETI
[4]   PATTERN-RECOGNITION AND STRUCTURE-ACTIVITY RELATIONSHIP STUDIES - COMPUTER-ASSISTED PREDICTION OF ANTITUMOR ACTIVITY IN STRUCTURALLY DIVERSE DRUGS IN AN EXPERIMENTAL MOUSE-BRAIN TUMOR SYSTEM [J].
CHU, KC ;
FELDMANN, RJ ;
SHAPIRO, MB ;
HAZARD, GF ;
GERAN, RI .
JOURNAL OF MEDICINAL CHEMISTRY, 1975, 18 (06) :539-545
[5]  
DEO N, 1974, GRAPH THEORY APPLICA
[6]   MATHEMATICAL CONTRIBUTION TO STRUCTURE-ACTIVITY STUDIES [J].
FREE, SM ;
WILSON, JW .
JOURNAL OF MEDICINAL CHEMISTRY, 1964, 7 (04) :395-&
[7]   MOLECULAR CONNECTIVITY ANALYSIS OF HALLUCINOGENIC MESCALINE ANALOGS [J].
GLENNON, RA ;
KIER, LB ;
SHULGIN, AT .
JOURNAL OF PHARMACEUTICAL SCIENCES, 1979, 68 (07) :906-907
[8]  
GROSSMAN SC, 1986, INT J QUANTUM CHEM, V12, P123
[9]   QSAR STUDIES ON HALLUCINOGENS [J].
GUPTA, SP ;
SINGH, P ;
BINDAL, MC .
CHEMICAL REVIEWS, 1983, 83 (06) :633-649
[10]  
Harary F., 1972, GRAPH THEORY