Efficient Corrections for DFT Noncovalent Interactions Based on Ensemble Learning Models.

Li, Wenze; Miao, Wei; Cui, Jingxia; Fang, Chao; Su, Shunting; Li, Hongzhi; Hu, LiHong; Lu, Yinghua; Chen, GuanHua

Li, Wenze; Miao, Wei; Cui, Jingxia; Fang, Chao; Su, Shunting; Li, Hongzhi; Hu, LiHong; Lu, Yinghua; Chen, GuanHua.

Afiliação

Li W; School of Information Science and Technology , Northeast Normal University , Changchun , 130117 , China.
Miao W; School of Information Science and Technology , Northeast Normal University , Changchun , 130117 , China.
Cui J; Institute of Functional Material Chemistry, Faculty of Chemistry , Northeast Normal University , Changchun , 130024 , China.
Fang C; School of Information Science and Technology , Northeast Normal University , Changchun , 130117 , China.
Su S; School of Information Science and Technology , Northeast Normal University , Changchun , 130117 , China.
Li H; School of Information Science and Technology , Northeast Normal University , Changchun , 130117 , China.
Hu L; School of Information Science and Technology , Northeast Normal University , Changchun , 130117 , China.
Lu Y; School of Information Science and Technology , Northeast Normal University , Changchun , 130117 , China.
Chen G; Institute of Functional Material Chemistry, Faculty of Chemistry , Northeast Normal University , Changchun , 130024 , China.

J Chem Inf Model ; 59(5): 1849-1857, 2019 05 28.

Article em En | MEDLINE | ID: mdl-30912940

Assuntos

Teoria da Densidade Funcional; Aprendizado de Máquina; Química Computacional/métodos; Bases de Dados de Compostos Químicos; Modelos Lineares

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Aprendizado de Máquina / Teoria da Densidade Funcional Idioma: En Revista: J Chem Inf Model Assunto da revista: INFORMATICA MEDICA / QUIMICA Ano de publicação: 2019 Tipo de documento: Article País de afiliação: China

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