CompTox Chemicals Dashboard Metadata Files for Integration with MetFrag
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资源简介：
The integration of metadata files from the CompTox Chemicals Dashboard with the online version of the MetFrag <i>in silico</i> fragmenter has previously been discussed in the paper ““MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies” by McEachran <i>et al. </i>(link to https://doi.org/10.1186/s13321-018-0299-2). For local installations of MetFrag we have provided here downloadable versions of these metadata files.
提供机构：
The United States Environmental Protection Agency’s Center for Computational Toxicology and Exposure创建时间：
2018-12-27
