GPU accelerated chemical similarity calculation for compound library comparison

Journal of Chemical Information and Modeling

Volumn 51, Issue 7, 2011, Pages 1521-1527

  Ma, Chao ^a,b,c   Wang, Lirong ^b,c   Xie, Xiang Qun ^a,b,c  

^a Western Campus of Tufts University   (United States)

^b School of Pharmacy   (United States)

^c UNIVERSITY OF PITTSBURGH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DIGITAL LIBRARIES; GRAPHICS PROCESSING UNIT; NEAREST NEIGHBOR SEARCH; PARALLEL PROGRAMMING; PROGRAM PROCESSORS;

CHEMICAL SIMILARITY; COMMERCIAL SOFTWARE; COMPOUND LIBRARIES; GPU-ACCELERATED; MATRIX CALCULATIONS; PROGRAMMING TECHNOLOGY; TANIMOTO COEFFICIENT; VIRTUAL SCREENING;

MULTICORE PROGRAMMING;

ALGORITHM; ARTICLE; BIOLOGY; COMPUTER PROGRAM; FACTUAL DATABASE; MOLECULAR LIBRARY; TIME;

ALGORITHMS; COMPUTATIONAL BIOLOGY; DATABASES, FACTUAL; SMALL MOLECULE LIBRARIES; SOFTWARE; TIME FACTORS;

EID: 79960741112     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci1004948     Document Type: Article

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