LigTMap: ligand and structure-based target identification and activity prediction for small molecular compounds.

Shaikh, Faraz; Tai, Hio Kuan; Desai, Nirali; Siu, Shirley W I

Shaikh, Faraz; Tai, Hio Kuan; Desai, Nirali; Siu, Shirley W I.

Afiliação

Shaikh F; Department of Computer and Information Science, Faculty of Science and Technology, University of Macau, Avenida da Universidade, Taipa, Macau, China.
Tai HK; Department of Computer and Information Science, Faculty of Science and Technology, University of Macau, Avenida da Universidade, Taipa, Macau, China.
Desai N; Department of Computer and Information Science, Faculty of Science and Technology, University of Macau, Avenida da Universidade, Taipa, Macau, China.
Siu SWI; Division of Biological and Life Sciences, Ahmedabad University, Ahmedabad, India.

J Cheminform ; 13(1): 44, 2021 Jun 10.

Article em En | MEDLINE | ID: mdl-34112240

Palavras-chave

Binding affinity prediction; Binding interaction fingerprint; Drug repurposing; Fingerprint similarity; Inverse docking; PSOVina; Random forest; Target prediction

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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Diagnostic_studies / Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2021 Tipo de documento: Article

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