Benefit of Retraining pKa Models Studied Using Internally Measured Data.

Gedeck, Peter; Lu, Yipin; Skolnik, Suzanne; Rodde, Stephane; Dollinger, Gavin; Jia, Weiping; Berellini, Giuliano; Vianello, Riccardo; Faller, Bernard; Lombardo, Franco

Gedeck, Peter; Lu, Yipin; Skolnik, Suzanne; Rodde, Stephane; Dollinger, Gavin; Jia, Weiping; Berellini, Giuliano; Vianello, Riccardo; Faller, Bernard; Lombardo, Franco.

Afiliação

Gedeck P; Novartis Institute for Tropical Diseases Pte. Ltd., 10 Biopolis Road, #05-01 Chromos, Singapore 138670, Singapore.
Lu Y; Novartis Institute for Biomedical Research, 5300 Chiron Way, Emeryville, California 94608, United States.
Skolnik S; §Novartis Institute for Biomedical Research, 250 Massachusetts Ave, Cambridge, Massachusetts 02139, United States.
Rodde S; â¥Novartis Institute for Biomedical Research, Postfach, CH-4002 Basel, Switzerland.
Dollinger G; Novartis Institute for Biomedical Research, 5300 Chiron Way, Emeryville, California 94608, United States.
Jia W; Novartis Institute for Biomedical Research, 5300 Chiron Way, Emeryville, California 94608, United States.
Berellini G; §Novartis Institute for Biomedical Research, 250 Massachusetts Ave, Cambridge, Massachusetts 02139, United States.
Vianello R; â¥Novartis Institute for Biomedical Research, Postfach, CH-4002 Basel, Switzerland.
Faller B; â¥Novartis Institute for Biomedical Research, Postfach, CH-4002 Basel, Switzerland.
Lombardo F; §Novartis Institute for Biomedical Research, 250 Massachusetts Ave, Cambridge, Massachusetts 02139, United States.

J Chem Inf Model ; 55(7): 1449-59, 2015 Jul 27.

Article em En | MEDLINE | ID: mdl-26052622

Assuntos

Fenômenos Químicos; Aprendizado de Máquina; Modelos Teóricos; Reprodutibilidade dos Testes

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Fenômenos Químicos / Aprendizado de Máquina / Modelos Teóricos Tipo de estudo: Observational_studies / Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2015 Tipo de documento: Article

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