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Nathaniel Charest

Center for Computational Toxicology and Exposure,
Office of Research and Development,
Center for Computational Toxicology and Exposure, Office of Research and Development

U.S. Environmental Protection Agency

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PUBLICATIONS

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

INSTITUTIONS

U.S. Environmental Protection Agency

JOVE ARTICLES

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

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.

Chemistry

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Nathaniel Charest

.css-o250i3{font-size:18px;font-family:Open Sans,sans-serif;line-height:21.6px;}Center for Computational Toxicology and Exposure,Office of Research and Development,Center for Computational Toxicology and Exposure, Office of Research and Development

U.S. Environmental Protection Agency

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Center for Computational Toxicology and Exposure,
Office of Research and Development,
Center for Computational Toxicology and Exposure, Office of Research and Development