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Experimental Error, Kurtosis, Activity Cliffs, and Methodology: What Limits the Predictivity of Quantitative Structure-Activity Relationship Models?
Sheridan, Robert P; Karnachi, Prabha; Tudor, Matthew; Xu, Yuting; Liaw, Andy; Shah, Falgun; Cheng, Alan C; Joshi, Elizabeth; Glick, Meir; Alvarez, Juan.
Afiliação
  • Sheridan RP; Computational and Structural Chemistry, Merck & Company Inc., Kenilworth, New Jersey 07033, United States.
  • Karnachi P; Computational and Structural Chemistry, Merck & Company Inc., Kenilworth, New Jersey 07033, United States.
  • Tudor M; Computational and Structural Chemistry, Merck & Company Inc., West Point, Pennsylvania 19486, United States.
  • Xu Y; Biometrics Research, Merck & Company Inc., Rahway, New Jersey 07065, United States.
  • Liaw A; Biometrics Research, Merck & Company Inc., Rahway, New Jersey 07065, United States.
  • Shah F; Computational and Structural Chemistry, Merck & Company Inc., West Point, Pennsylvania 19486, United States.
  • Cheng AC; Computational and Structural Chemistry, Merck & Company Inc., South San Francisco, California 94080, United States.
  • Joshi E; Pharmacokinetics, Pharmacodynamics & Drug Metabolism, Merck & Company Inc., West Point, Pennsylvania 19486, United States.
  • Glick M; Computational and Structural Chemistry, Merck & Company Inc., Boston, Massachusetts 02115, United States.
  • Alvarez J; Computational and Structural Chemistry, Merck & Company Inc., Boston, Massachusetts 02115, United States.
J Chem Inf Model ; 60(4): 1969-1982, 2020 04 27.
Article em En | MEDLINE | ID: mdl-32207612
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Relação Quantitativa Estrutura-Atividade / Erro Científico Experimental Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2020 Tipo de documento: Article
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Relação Quantitativa Estrutura-Atividade / Erro Científico Experimental Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2020 Tipo de documento: Article