Improvement of virtual screening results by docking data feature analysis

Journal of Chemical Information and Modeling

Volumn 54, Issue 5, 2014, Pages 1401-1411

  Arciniega, Marcelino ^a,b   Lange, Oliver F ^b,c  

^a MAX PLANCK INSTITUTE OF BIOCHEMISTRY   (Germany)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^c INSTITUTE OF EPIDEMIOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULES;

COMPUTING TIME; DATA FEATURE; DOCKING PROGRAMS; ECONOMIC RESOURCES; OUTPUT DATA; VIRTUAL SCREENING;

MOLECULAR MODELING;

AREA UNDER THE CURVE; ARTIFICIAL NEURAL NETWORK; COMPUTER INTERFACE; DRUG SCREENING; MOLECULAR DOCKING; PROCEDURES; RECEIVER OPERATING CHARACTERISTIC;

AREA UNDER CURVE; DRUG EVALUATION, PRECLINICAL; MOLECULAR DOCKING SIMULATION; NEURAL NETWORKS (COMPUTER); ROC CURVE; USER-COMPUTER INTERFACE;

EID: 84901589516     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500028u     Document Type: Article

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