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
[11]  
JOHNSON M, 1985, GRAPH THEORY ITS APP, P457
[12]  
Kier L.B., 1976, MOL CONNECTIVITY CHE
[13]  
Kier L.B., 1986, MOL CONNECTIVITY STR
[14]   USE OF THE COMPUTER AUTOMATED STRUCTURE EVALUATION PROGRAM IN DETERMINING QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIPS WITHIN HALLUCINOGENIC PHENYLALKYLAMINES [J].
KLOPMAN, G ;
MACINA, OT .
JOURNAL OF THEORETICAL BIOLOGY, 1985, 113 (04) :637-648
[16]   COMPUTER-SIMULATION OF PHYSICAL-CHEMICAL PROPERTIES OF ORGANIC-MOLECULES .1. MOLECULAR-SYSTEM IDENTIFICATION [J].
KLOPMAN, G ;
MCGONIGAL, M .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1981, 21 (01) :48-52
[17]  
RAY SK, 1983, ARZNEIMITTEL-FORSCH, V33-1, P352
[18]   DISCRIMINATION OF ISOMERIC STRUCTURES USING INFORMATION THEORETIC TOPOLOGICAL INDEXES [J].
RAYCHAUDHURY, C ;
RAY, SK ;
GHOSH, JJ ;
ROY, AB ;
BASAK, SC .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1984, 5 (06) :581-588
[19]  
RAYCHAUDHURY C, 1983, THESIS JADAVPUR U CA
[20]  
RAYCHAUDHURY C, 1980, INDIAN DRUGS, V18, P97