Database Schema File of Predicted Spectra of CompTox Chemicals Dashboard Structures
收藏DataCite Commons2024-04-11 更新2024-07-13 收录
下载链接：
https://epa.figshare.com/articles/dataset/Database_Schema_File_of_Predicted_Spectra_of_CompTox_Chemicals_Dashboard_Structures/7660967/1
下载链接
链接失效反馈官方服务：
资源简介：
Predicted
spectra of ~700,000 chemical structures from the CompTox Chemicals Dashboard
were generated using the CFM-ID model developed by Allen, et al. (https://doi.org/10.1007/s11306-014-0676-4
and https://doi.org/10.1007/s11306-014-0676-4)
in ESI-positive and negative modes and EI-MS.
These data are provided in an SQL relational database and described in
this SQL Schema file.
提供机构：
The United States Environmental Protection Agency’s Center for Computational Toxicology and Exposure
创建时间：
2019-02-01
