ChemModLab: A web-based cheminformatics modeling laboratory

In Silico Biology

Volumn 11, Issue 1-2, 2011, Pages 61-81

  Hughes Oliver, Jacqueline M ^a   Brooks, Atina D ^a   Welch, William J ^b   Khaledi, Morteza G ^a   Hawkins, Douglas ^c   Young, S Stanley ^d   Patil, Kirtesh ^e   Howell, Gary W ^a   Ng, Raymond T ^b   Chu, Moody T ^a  

^a NORTH CAROLINA STATE UNIVERSITY   (United States)

^b UNIVERSITY OF BRITISH COLUMBIA   (Canada)

^c UNIVERSITY OF MINNESOTA   (United States)

^d NATIONAL INSTITUTE OF ENVIRONMENTAL HEALTH SCIENCES   (United States)

^e North Carolina State University   (United States)

Author keywords

Cheminformatics; data mining; ensemble methods; model assessment; model validation; nearest neighbors; neural networks; QSAR; recursive partitioning; regression; support vector machine; virtual screening

Indexed keywords

ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMICAL STRUCTURE; COMPUTER PROGRAM; DATA MINING; INFORMATION SCIENCE; INTERNET; METHODOLOGY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SUPPORT VECTOR MACHINE;

DATA MINING; INFORMATICS; INTERNET; MODELS, MOLECULAR; NEURAL NETWORKS (COMPUTER); QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE; SUPPORT VECTOR MACHINES;

EID: 84859536904     PISSN: 14343207     EISSN: None     Source Type: Journal    
DOI: 10.3233/CI-2008-0016     Document Type: Article

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