Modeling Choices for Virtual Screening Hit Identification.

Bergeron, Charles; Krein, Michael; Moore, Gregory; Breneman, Curt M; Bennett, Kristin P

Bergeron, Charles; Krein, Michael; Moore, Gregory; Breneman, Curt M; Bennett, Kristin P.

Afiliação

Bergeron C; Department of Mathematical Sciences, Rensselaer Polytechnic Institute, 110 Eighth Street, Troy, New York, 12180 phone/fax: (518) 276-6414, (518) 276-4824. chbergeron@gmail.com, bergec@rpi.edu.
Krein M; Department of Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, 110 Eighth Street, Troy, New York, 12180. chbergeron@gmail.com, bergec@rpi.edu.
Moore G; Department of Pharmaceutical Sciences, Albany College of Pharmacy and Health Sciences, 261 Mountain View Drive, Colchester, Vermont, 05446. chbergeron@gmail.com, bergec@rpi.edu.
Breneman CM; Department of Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, 110 Eighth Street, Troy, New York, 12180.
Bennett KP; Department of Mathematical Sciences, Rensselaer Polytechnic Institute, 110 Eighth Street, Troy, New York, 12180 phone/fax: (518) 276-6414, (518) 276-4824.

Mol Inform ; 30(9): 765-77, 2011 Sep.

Article em En | MEDLINE | ID: mdl-27467409

Palavras-chave

Balanced classification; Computational chemistry; Drug design; Fast algorithms; High-throughput screening; Kernel functions; Molecular descriptors; Screening hit identification; Support vector machines

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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Diagnostic_studies / Screening_studies Idioma: En Ano de publicação: 2011 Tipo de documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Diagnostic_studies / Screening_studies Idioma: En Ano de publicação: 2011 Tipo de documento: Article