Investigation of Machine Intelligence in Compound Cell Activity Classification.

Fan, Yuanrong; Zhang, Yanmin; Hua, Yi; Wang, Yuchen; Zhu, Lu; Zhao, Junnan; Yang, Yan; Chen, Xingye; Lu, Shuai; Lu, Tao; Chen, Yadong; Liu, Haichun

Fan, Yuanrong; Zhang, Yanmin; Hua, Yi; Wang, Yuchen; Zhu, Lu; Zhao, Junnan; Yang, Yan; Chen, Xingye; Lu, Shuai; Lu, Tao; Chen, Yadong; Liu, Haichun.

Afiliação

Fan Y; Laboratory of Molecular Design and Drug Discovery, School of Science , China Pharmaceutical University , 639 Longmian Avenue , Nanjing 211198 , China.
Zhang Y; Laboratory of Molecular Design and Drug Discovery, School of Science , China Pharmaceutical University , 639 Longmian Avenue , Nanjing 211198 , China.
Hua Y; Laboratory of Molecular Design and Drug Discovery, School of Science , China Pharmaceutical University , 639 Longmian Avenue , Nanjing 211198 , China.
Wang Y; Laboratory of Molecular Design and Drug Discovery, School of Science , China Pharmaceutical University , 639 Longmian Avenue , Nanjing 211198 , China.
Zhu L; Laboratory of Molecular Design and Drug Discovery, School of Science , China Pharmaceutical University , 639 Longmian Avenue , Nanjing 211198 , China.
Zhao J; Laboratory of Molecular Design and Drug Discovery, School of Science , China Pharmaceutical University , 639 Longmian Avenue , Nanjing 211198 , China.
Yang Y; Laboratory of Molecular Design and Drug Discovery, School of Science , China Pharmaceutical University , 639 Longmian Avenue , Nanjing 211198 , China.
Chen X; Laboratory of Molecular Design and Drug Discovery, School of Science , China Pharmaceutical University , 639 Longmian Avenue , Nanjing 211198 , China.
Lu S; Laboratory of Molecular Design and Drug Discovery, School of Science , China Pharmaceutical University , 639 Longmian Avenue , Nanjing 211198 , China.
Lu T; Laboratory of Molecular Design and Drug Discovery, School of Science , China Pharmaceutical University , 639 Longmian Avenue , Nanjing 211198 , China.
Chen Y; State Key Laboratory of Natural Medicines , China Pharmaceutical University , 24 Tongjiaxiang , Nanjing 210009 , China.
Liu H; Laboratory of Molecular Design and Drug Discovery, School of Science , China Pharmaceutical University , 639 Longmian Avenue , Nanjing 211198 , China.

Mol Pharm ; 16(11): 4472-4484, 2019 11 04.

Article em En | MEDLINE | ID: mdl-31580683

Assuntos

Descoberta de Drogas/métodos; Algoritmos; Inteligência Artificial; Árvores de Decisões; Humanos; Aprendizado de Máquina; Redes Neurais de Computação; Máquina de Vetores de Suporte

Palavras-chave

SMILES; convolutional neural network; deep learning; gradient boosting machine; machine learning

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Descoberta de Drogas Tipo de estudo: Prognostic_studies Limite: Humans Idioma: En Revista: Mol Pharm Assunto da revista: BIOLOGIA MOLECULAR / FARMACIA / FARMACOLOGIA Ano de publicação: 2019 Tipo de documento: Article País de afiliação: China

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