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Center for Computational Toxicology and Exposure,
Office of Research and Development,
Center for Computational Toxicology and Exposure, Office of Research and Development
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Paths to cheminformatics: Q&A with Nathaniel Charest.
Journal of cheminformatics Oct, 2023 | Pubmed ID: 37798806
Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling.
Journal of cheminformatics Feb, 2024 | Pubmed ID: 38378618
Improving predictions of compound amenability for liquid chromatography-mass spectrometry to enhance non-targeted analysis.
Analytical and bioanalytical chemistry Apr, 2024 | Pubmed ID: 38530399
U.S. Environmental Protection Agency
Gregory Janesch1,
Erik Tyler Carr1,
Sakuntala Sivasupramaniam2,
Nathaniel Charest3,
Valery Tkachenko4,
Antony J. Williams3
1, Oak Ridge Affiliated Universities (ORAU) Student Services Contractor,
2Senior Environmental Employment Program, U.S. Environmental Protection Agency,
3Center for Computational Toxicology and Exposure, Office of Research and Development, U.S. Environmental Protection Agency,
4, ScienceDataExperts Inc.
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