Accelerating two algorithms for large-scale compound selection on GPUs

Journal of Chemical Information and Modeling

Volumn 51, Issue 5, 2011, Pages 1017-1024

  Liao, Quan ^a   Wang, Jibo ^b   Watson, Ian A ^b  

^a ChemExplorer Co Ltd   (China)

^b ELI LILLY AND COMPANY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER HARDWARE; OPEN SYSTEMS; PROGRAM PROCESSORS;

COMPOUND SELECTION; DRUG DISCOVERY; GRAPHICAL PROCESSING UNIT (GPUS); MOLECULAR SIMILARITY; OPEN SOURCES; SELECTION ALGORITHM; TANIMOTO INDEX;

GRAPHICS PROCESSING UNIT;

ALGORITHM; CHEMICAL DATABASE; CHEMICAL STRUCTURE; COMPUTER GRAPHICS; DRUG DEVELOPMENT; TIME; ARTICLE;

ALGORITHMS; COMPUTER GRAPHICS; DATABASES, CHEMICAL; DRUG DISCOVERY; MOLECULAR STRUCTURE; TIME FACTORS;

EID: 79960275000     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200061p     Document Type: Article

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