ATOMIC PHYSICOCHEMICAL PARAMETERS FOR 3-DIMENSIONAL STRUCTURE-DIRECTED QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS .1. PARTITION-COEFFICIENTS AS A MEASURE OF HYDROPHOBICITY

被引:579
作者
GHOSE, AK
CRIPPEN, GM
机构
关键词
D O I
10.1002/jcc.540070419
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:565 / 577
页数:13
相关论文
共 50 条
[41]   Quantitative structure-activity relationships using hydrophobicity constants measured by high-pressure liquid chromatography: A comparison with octanol-water partition coefficients [J].
Minick, D.J. ;
Sabatka, J.J. ;
Brent, D.A. .
Journal of Liquid Chromatography, 1987, 10 (12) :2565-2589
[42]   QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS BY NEURAL NETWORKS AND INDUCTIVE LOGIC PROGRAMMING .1. THE INHIBITION OF DIHYDROFOLATE-REDUCTASE BY PYRIMIDINES [J].
HIRST, JD ;
KING, RD ;
STERNBERG, MJE .
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 1994, 8 (04) :405-420
[43]   STUDIES ON URICOSURIC DIURETICS .4. 3-DIMENSIONAL STRUCTURE-ACTIVITY-RELATIONSHIPS AND RECEPTOR MAPPING OF (ARYLOXY)ACETIC ACID DIURETICS [J].
KOGA, H ;
SATO, H ;
DAN, T ;
AOKI, B .
JOURNAL OF MEDICINAL CHEMISTRY, 1991, 34 (09) :2702-2708
[44]   MOLECULAR DESIGN OF BIOACTIVE MOLECULES - PHARMACOPHORE MODEL, BIOACTIVE CONFORMATION, AND 3-DIMENSIONAL QUANTITATIVE STRUCTURE - ACTIVITY RELATIONSHIPS [J].
MOTOC, I ;
LABANOWSKI, JK ;
BENDER, CF .
MATH/CHEM/COMP 1988, 1989, 63 :235-244
[45]   THE SURFACTANT ELECTRODE - A NEW ADVANCE FOR PHYSIOLOGIC AND PHYSICOCHEMICAL STUDIES OF BILE-SALT METABOLISM AND STRUCTURE-ACTIVITY-RELATIONSHIPS .1. SODIUM TAURODEHYDROCHOLATE [J].
MOORE, EW ;
ROSS, JW .
GASTROENTEROLOGY, 1985, 88 (05) :1680-1680
[46]   QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS (QSARS) OF N-TERMINUS FRAGMENTS OF NK1 TACHYKININ ANTAGONISTS - A COMPARISON OF CLASSICAL QSARS AND 3-DIMENSIONAL QSARS FROM SIMILARITY-MATRICES [J].
HORWELL, DC ;
HOWSON, W ;
HIGGINBOTTOM, M ;
NAYLOR, D ;
RATCLIFFE, GS ;
WILLIAMS, S .
JOURNAL OF MEDICINAL CHEMISTRY, 1995, 38 (22) :4454-4462
[47]   QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS OF INHIBITORS OF IMMUNE COMPLEX-INDUCED INFLAMMATION - 1-PHENYL-3-AMINOPYRAZOLINE DERIVATIVES [J].
KIM, KH ;
MARTIN, YC ;
NORRIS, B ;
YOUNG, PR ;
CARTER, GW ;
HAVIV, F ;
WALTERS, RL .
JOURNAL OF PHARMACEUTICAL SCIENCES, 1990, 79 (07) :609-613
[48]   QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS IN PHENYLALKYLAMINES .1. DIFFERENTIATION OF EFFECTS WITH RESPECT TO BETA-ADRENERGIC RECEPTORS USING DISCRIMINANT-ANALYSIS [J].
LAASS, W ;
BERCHER, H ;
SCHULT, E ;
FRANKE, R ;
GRISK, A .
PHARMAZIE, 1979, 34 (5-6) :334-335
[49]   STUDIES ON ORALLY-ACTIVE CEPHALOSPORINS .1. SYNTHESIS AND STRUCTURE-ACTIVITY-RELATIONSHIPS OF NEW 3-SUBSTITUTED CARBAMOYLOXYMETHYL CEPHALOSPORINS [J].
NEGI, S ;
YAMANAKA, M ;
SUGIYAMA, I ;
KOMATSU, Y ;
SASHO, M ;
TSURUOKA, A ;
KAMADA, A ;
TSUKADA, I ;
HIRUMA, R ;
KATSU, K ;
MACHIDA, Y .
JOURNAL OF ANTIBIOTICS, 1994, 47 (12) :1507-1525
[50]   QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS FOR HERBICIDAL 2-DIFLUOROMETHYLTHIO-4,6-BIS(MONOALKYLAMINO)-1,3,5-TRIAZINES [J].
MORITA, K ;
NAGARE, T ;
HAYASHI, Y .
AGRICULTURAL AND BIOLOGICAL CHEMISTRY, 1987, 51 (07) :1955-1957