Ligand-based virtual screening using binary kernel discrimination

Molecular Simulation

Volumn 31, Issue 8, 2005, Pages 597-604

  Chen, Beining ^a   Harrison, Robert F ^a   Hert, Jérôme ^a   Mpanhanga, Chido ^a   Willett, Peter ^a   Wilton, David J ^a  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

Author keywords

Binary kernel discrimination; Circular substructure; Fingerprints; Similarity searching; Virtual screening

Indexed keywords

COST EFFECTIVENESS; DATABASE SYSTEMS; DISCRIMINATORS; DRUG PRODUCTS; LEARNING SYSTEMS; MATHEMATICAL MODELS; MAXIMUM LIKELIHOOD ESTIMATION; PARAMETER ESTIMATION; PESTICIDES;

BINARY KERNEL DISCRIMINATION (BKD); CIRCULAR SUBSTRUCTURES; FINGERPRINTS; SIMILARITY SEARCHING; VIRTUAL SCREENING;

SCREENING;

EID: 23744448904     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927020500134177     Document Type: Article

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