Classification models and SAR analysis on HDAC1 inhibitors using machine learning methods.

Li, Rourou; Tian, Yujia; Yang, Zhenwu; Ji, Yueshan; Ding, Jiaqi; Yan, Aixia

Li, Rourou; Tian, Yujia; Yang, Zhenwu; Ji, Yueshan; Ding, Jiaqi; Yan, Aixia.

Afiliação

Li R; State Key Laboratory of Chemical Resource Engineering, Department of Pharmaceutical Engineering, Beijing University of Chemical Technology, Beijing, China.
Tian Y; State Key Laboratory of Chemical Resource Engineering, Department of Pharmaceutical Engineering, Beijing University of Chemical Technology, Beijing, China.
Yang Z; State Key Laboratory of Chemical Resource Engineering, Department of Pharmaceutical Engineering, Beijing University of Chemical Technology, Beijing, China.
Ji Y; State Key Laboratory of Chemical Resource Engineering, Department of Pharmaceutical Engineering, Beijing University of Chemical Technology, Beijing, China.
Ding J; School of International Education, Beijing University of Chemical Technology, Beijing, China.
Yan A; State Key Laboratory of Chemical Resource Engineering, Department of Pharmaceutical Engineering, Beijing University of Chemical Technology, Beijing, China. yanax@mail.buct.edu.cn.

Mol Divers ; 27(3): 1037-1051, 2023 Jun.

Article em En | MEDLINE | ID: mdl-35737257

Assuntos

Algoritmos; Aprendizado de Máquina; Humanos; Relação Estrutura-Atividade; Estrutura Molecular; Máquina de Vetores de Suporte; Histona Desacetilase 1

Palavras-chave

Classification models; Histone deacetylase (HDAC) 1 inhibitor; Machine learning method; Structure clustering; Structureactivity relationship (SAR)

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Algoritmos / Aprendizado de Máquina Tipo de estudo: Prognostic_studies Limite: Humans Idioma: En Ano de publicação: 2023 Tipo de documento: Article

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