Boosting virtual screening enrichments with data fusion: Coalescing hits from two-dimensional fingerprints, shape, and docking

Journal of Chemical Information and Modeling

Volumn 53, Issue 7, 2013, Pages 1531-1542

  Sastry, G Madhavi ^a   Inakollu, V S Sandeep ^a   Sherman, Woody ^a  

^a SCHRÖDINGER INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FLOCCULATION;

DATA FUSION ALGORITHM; DOCKING METHODS; MULTIPLE METHODS; SCREENING METHODS; SHAPE BASED SIMILARITIES; TWO DIMENSIONAL (2 D); TWO-DIMENSIONAL FINGERPRINT; VIRTUAL SCREENING;

DATA FUSION;

ALGORITHM; ARTICLE; COMPUTER INTERFACE; DATA BASE; DRUG DATABASE; DRUG SCREENING; METHODOLOGY; MOLECULAR DOCKING; PROCEDURES;

ALGORITHMS; DATABASE MANAGEMENT SYSTEMS; DATABASES, PHARMACEUTICAL; DRUG EVALUATION, PRECLINICAL; MOLECULAR DOCKING SIMULATION; USER-COMPUTER INTERFACE;

EID: 84880558073     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300463g     Document Type: Article

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