Quantitative Structure-Activity Relationship Analysis and a Combined Ligand-Based/Structure-Based Virtual Screening Study for Glycogen Synthase Kinase-3.

Fu, Gang; Liu, Sheng; Nan, Xiaofei; Dale, Olivia R; Zhao, Zhendong; Chen, Yixin; Wilkins, Dawn E; Manly, Susan P; Cutler, Stephen J; Doerksen, Robert J

Fu, Gang; Liu, Sheng; Nan, Xiaofei; Dale, Olivia R; Zhao, Zhendong; Chen, Yixin; Wilkins, Dawn E; Manly, Susan P; Cutler, Stephen J; Doerksen, Robert J.

Afiliação

Fu G; Department of Medicinal Chemistry, School of Pharmacy, University of Mississippi, University, MS 38677, USA.
Liu S; Department of Computer and Information Science, School of Engineering, University of Mississippi, University, MS 38677, USA.
Nan X; Department of Computer and Information Science, School of Engineering, University of Mississippi, University, MS 38677, USA.
Dale OR; Department of Computer and Information Science, School of Engineering, University of Mississippi, University, MS 38677, USA.
Zhao Z; Department of Medicinal Chemistry, School of Pharmacy, University of Mississippi, University, MS 38677, USA.
Chen Y; Department of Computer and Information Science, School of Engineering, University of Mississippi, University, MS 38677, USA.
Wilkins DE; Department of Computer and Information Science, School of Engineering, University of Mississippi, University, MS 38677, USA.
Manly SP; Department of Computer and Information Science, School of Engineering, University of Mississippi, University, MS 38677, USA.
Cutler SJ; National Center for Natural Products Research, School of Pharmacy, University of Mississippi, Faser Hall 419, University, MS 38677, USA phone: (662)-915-5880.
Doerksen RJ; Department of Medicinal Chemistry, School of Pharmacy, University of Mississippi, University, MS 38677, USA.

Mol Inform ; 33(9): 627-40, 2014 Sep.

Article em En | MEDLINE | ID: mdl-27486081

Palavras-chave

Glycogen synthase kinase-3 inhibitors; High-throughput screening; Random forests; Structure-activity relationships; Support vector machines

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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Diagnostic_studies / Guideline / Prognostic_studies / Screening_studies Idioma: En Ano de publicação: 2014 Tipo de documento: Article

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