Additional file 3: of PubChem atom environments
收藏DataCite Commons2024-12-17 更新2024-07-25 收录
下载链接：
https://springernature.figshare.com/articles/dataset/Additional_file_3_of_PubChem_atom_environments/4673173/1
下载链接
链接失效反馈官方服务：
资源简介：
PubChem atom types. This file contains all atom types generated in this study for PubChem Substance and PubChem Compound in SMARTS format. Each SMARTS string is followed by a semicolon-separated incidence vector that specifies in how many records in which repository the particular atom type was found. Order of repositories is PubChem Substance followed by PubChem Compound. File is sorted by lexicographical order of SMARTS strings.
提供机构：
Figshare
创建时间：
2017-12-18
