Explicit calculation of 3D molecular similarity

被引:28
作者
Good, AC
Richards, WG
机构
[1] Glaxo Wellcome Med Res Ctr, Stevenage SG1 2NY, Herts, England
[2] Phys Chem Lab, Oxford OX1 3QZ, England
关键词
D O I
10.1023/A:1027280526177
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
引用
收藏
页码:321 / 338
页数:18
相关论文
共 86 条
[1]  
AMOVILLI C, 1991, J MOL STRUC-THEOCHEM, V73, P1, DOI 10.1016/0166-1280(91)85268-C
[2]  
[Anonymous], 3D QSAR DRUG DESIGN
[3]   SEARCHING FOR GEOMETRIC MOLECULAR SHAPE COMPLEMENTARITY USING BIDIMENSIONAL SURFACE PROFILES [J].
BADEL, A ;
MORNON, JP ;
HAZOUT, S .
JOURNAL OF MOLECULAR GRAPHICS, 1992, 10 (04) :205-211
[4]   A FAST AND EFFICIENT METHOD FOR 2D AND 3D MOLECULAR SHAPE-DESCRIPTION [J].
BEMIS, GW ;
KUNTZ, ID .
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 1992, 6 (06) :607-628
[5]   A RAPID METHOD FOR COMPARING AND MATCHING THE SPHERICAL PARAMETER SURFACES OF MOLECULES AND OTHER IRREGULAR OBJECTS [J].
BLADON, P .
JOURNAL OF MOLECULAR GRAPHICS, 1989, 7 (03) :130-137
[6]   MOLECULAR-SURFACE COMPARISON - APPLICATION TO DRUG DESIGN [J].
BLANEY, F ;
FINN, P ;
PHIPPEN, R ;
WYATT, M .
JOURNAL OF MOLECULAR GRAPHICS, 1993, 11 (02) :98-&
[7]   MOLECULAR-SURFACE COMPARISON .2. SIMILARITY OF ELECTROSTATIC VECTOR-FIELDS IN DRUG DESIGN [J].
BLANEY, FE ;
EDGE, C ;
PHIPPEN, RW .
JOURNAL OF MOLECULAR GRAPHICS, 1995, 13 (03) :165-174
[8]   MAMBAS - A REAL-TIME GRAPHICS ENVIRONMENT FOR QSAR [J].
BLANEY, FE ;
NAYLOR, D ;
WOODS, J .
JOURNAL OF MOLECULAR GRAPHICS, 1993, 11 (03) :157-165
[9]  
BONE RG, 1995, J MOL GRAPHICS, V13, P165
[10]   MOLECULAR SIMILARITY IN TERMS OF VALENCE ELECTRON-DENSITY [J].
BOWENJENKINS, PE ;
RICHARDS, WG .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1986, (02) :133-135