Virtual screening using binary kernel discrimination: Analysis of pesticide data

Journal of Chemical Information and Modeling

Volumn 46, Issue 2, 2006, Pages 471-477

  Wilton, David J ^a   Harrison, Robert F ^a   Willett, Peter ^a   Delaney, John ^b   Lawson, Kevin ^b   Mullier, Graham ^b  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

^b JEALOTT S HILL INTERNATIONAL RESEARCH CENTRE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL COMPOUNDS; DATABASE SYSTEMS; PESTICIDES; SCREENING; VECTOR QUANTIZATION; VIRTUAL REALITY;

BINARY KERNEL DISCRIMINATION (BKD); CORPORATE DATABASES; LEAD-DISCOVERY PROGRAMS; VIRTUAL SCREENING;

DATA REDUCTION;

PESTICIDE;

ALGORITHM; ARTICLE; CHEMISTRY; COMPUTER SIMULATION; DATA BASE; DRUG DESIGN; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; COMPUTER SIMULATION; DATABASES; DRUG DESIGN; PESTICIDES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 33646250166     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci050397w     Document Type: Conference Paper

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