Best practices in machine learning for chemistry.
作者信息
Artrith Nongnuch, Butler Keith T, Coudert François-Xavier, Han Seungwu, Isayev Olexandr, Jain Anubhav, Walsh Aron
机构信息
Department of Chemical Engineering, Columbia University, New York, NY, USA.
Columbia Center for Computational Electrochemistry (CCCE), Columbia University, New York, NY, USA.
出版信息
Nat Chem. 2021 Jun;13(6):505-508. doi: 10.1038/s41557-021-00716-z.
PMID:34059804
Abstract
摘要
Zotero 插件