DeepCPI: A Deep Learning-based Framework for Large-scale in silico Drug Screening.

Wan, Fangping; Zhu, Yue; Hu, Hailin; Dai, Antao; Cai, Xiaoqing; Chen, Ligong; Gong, Haipeng; Xia, Tian; Yang, Dehua; Wang, Ming-Wei; Zeng, Jianyang

Wan, Fangping; Zhu, Yue; Hu, Hailin; Dai, Antao; Cai, Xiaoqing; Chen, Ligong; Gong, Haipeng; Xia, Tian; Yang, Dehua; Wang, Ming-Wei; Zeng, Jianyang.

Afiliação

Wan F; Institute for Interdisciplinary Information Sciences, Tsinghua University, Beijing 100084, China.
Zhu Y; The National Center for Drug Screening and the CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.
Hu H; School of Medicine, Tsinghua University, Beijing 100084, China.
Dai A; The National Center for Drug Screening and the CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.
Cai X; The National Center for Drug Screening and the CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.
Chen L; School of Pharmaceutical Sciences, Tsinghua University, Beijing 100084, China.
Gong H; School of Life Science, Tsinghua University, Beijing 100084, China.
Xia T; Department of Electronics and Information Engineering, Huazhong University of Science and Technology, Wuhan 430074, China.
Yang D; The National Center for Drug Screening and the CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China. Electronic address: dhyang@simm.ac.cn.
Wang MW; The National Center for Drug Screening and the CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China; School of Life Science and Technology, ShanghaiTech University, Shanghai 201210, China; Shanghai Medical College, Fudan U
Zeng J; Institute for Interdisciplinary Information Sciences, Tsinghua University, Beijing 100084, China; MOE Key Laboratory of Bioinformatics, Tsinghua University, Beijing 100084, China. Electronic address: zengjy321@tsinghua.edu.cn.

Genomics Proteomics Bioinformatics ; 17(5): 478-495, 2019 10.

Article em En | MEDLINE | ID: mdl-32035227

Assuntos

Aprendizado Profundo; Interface Usuário-Computador; Área Sob a Curva; Bases de Dados de Compostos Químicos; Preparações Farmacêuticas/química; Preparações Farmacêuticas/metabolismo; Proteínas/química; Proteínas/metabolismo; Curva ROC

Palavras-chave

Compoundprotein interaction prediction; Deep learning; Drug discovery; In silico drug screening; Machine learning

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Interface Usuário-Computador / Aprendizado Profundo Tipo de estudo: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Revista: Genomics Proteomics Bioinformatics Assunto da revista: BIOQUIMICA / GENETICA / INFORMATICA MEDICA Ano de publicação: 2019 Tipo de documento: Article País de afiliação: China País de publicação: China

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