Use of Markush structure analysis techniques for descriptor generation and clustering of large combinatorial libraries

Journal of Molecular Graphics and Modelling

Volumn 18, Issue 4-5, 2000, Pages 452-463

  Barnard, John M ^a   Downs, Geoff M ^a   Von Scholley Pfab, Annette ^a   Brown, Robert D ^b  

^a Barnard Chemical Information Ltd   (United Kingdom)

^b ACCELRYS INC   (United States)

Author keywords

Clustering; Combinatorial library; Descriptor generation; Fingerprint; Markush structure

Indexed keywords

MOLECULES; PROCESSING; COMBINATORIAL MATHEMATICS; COMPUTER SYSTEMS PROGRAMMING; DATABASE SYSTEMS; RESPONSE TIME (COMPUTER SYSTEMS);

COMBINATORIAL LIBRARIES;

MOLECULAR GRAPHICS; MOLECULAR DYNAMICS;

BENZODIAZEPINE;

ARTICLE; CALCULATION; CHEMICAL REACTION; CLUSTER ANALYSIS; COMBINATORIAL CHEMISTRY; CONFORMATIONAL TRANSITION; HYDROGEN BOND; INFORMATION PROCESSING; PERFORMANCE; PRIORITY JOURNAL; SIMULATION; STRUCTURE ACTIVITY RELATION;

COMBINATORIAL LIBRARIES; MARKUSH STRUCTURE ANALYSIS;

EID: 0034351499     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(00)00067-X     Document Type: Article

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