Computer-aided molecular diversity analysis and combinatorial library design

被引:27
作者
Lewis, RA
Pickett, SD
Clark, DE
机构
[1] Eli Lilly & Co, Lilly Res Ctr Ltd, Computat Chem, Windlesham GU20 6PH, Surrey, England
[2] Dagenham Res Ctr, Dagenham RM10 7XS, Essex, England
来源
REVIEWS IN COMPUTATIONAL CHEMISTRY, VOL 16 | 2000年 / 16卷
关键词
D O I
10.1002/9780470125939.ch1
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:1 / 51
页数:51
相关论文
共 251 条
[1]   An efficient implementation of distance-based diversity measures based on k-d trees [J].
Agrafiotis, DK ;
Lobanov, VS .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1999, 39 (01) :51-58
[2]   Stochastic algorithms for maximizing molecular diversity [J].
Agrafiotis, DK .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1997, 37 (05) :841-851
[3]  
AGRAFIOTIS DK, 1999, ADV DIVERSITY PROFIL, V4, P1
[4]   Can we learn to distinguish between "drug-like" and "nondrug-like" molecules? [J].
Ajay ;
Walters, WP ;
Murcko, MA .
JOURNAL OF MEDICINAL CHEMISTRY, 1998, 41 (18) :3314-3324
[5]   STRUCTURE-BASED DESIGN OF A CYCLOPHILIN-CALCINEURIN BRIDGING LIGAND [J].
ALBERG, DG ;
SCHREIBER, SL .
SCIENCE, 1993, 262 (5131) :248-250
[6]   THE DEVELOPMENT OF VERSION-3 AND VERSION-4 OF THE CAMBRIDGE STRUCTURAL DATABASE SYSTEM [J].
ALLEN, FH ;
DAVIES, JE ;
GALLOY, JJ ;
JOHNSON, O ;
KENNARD, O ;
MACRAE, CF ;
MITCHELL, EM ;
MITCHELL, GF ;
SMITH, JM ;
WATSON, DG .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1991, 31 (02) :187-204
[7]  
[Anonymous], DAYL CHEM INF SOFTW
[8]  
[Anonymous], 3D QSAR DRUG DESIGN
[9]  
[Anonymous], 1992, APPL MULTIVARIATE DA
[10]   The use of self-organizing neural networks in drug design [J].
Anzali, S ;
Gasteiger, J ;
Holzgrabe, U ;
Polanski, J ;
Sadowski, J ;
Teckentrup, A ;
Wagener, M .
PERSPECTIVES IN DRUG DISCOVERY AND DESIGN, 1998, 9-11 :273-299