Predicted EI-MS Spectra of CompTox Chemicals Dashboard Structures
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https://epa.figshare.com/articles/dataset/Predicted_EI-MS_Spectra_of_CompTox_Chemicals_Dashboard_Structures/7660859/1
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资源简介：
Predicted EI-MS 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/10.1021/acs.analchem.6b01622). These data are provided in .dat ASCII format.
提供机构：
The United States Environmental Protection Agency’s Center for Computational Toxicology and Exposure
创建时间：
2019-02-01
