Found: 6
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“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0299-2
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- Article
OPERA models for predicting physicochemical properties and environmental fate endpoints.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 0, doi. 10.1186/s13321-018-0263-1
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- Publication type:
- Article
Predicting in vivo effect levels for repeat-dose systemic toxicity using chemical, biological, kinetic and study covariates.
- Published in:
- Archives of Toxicology, 2018, v. 92, n. 2, p. 587, doi. 10.1007/s00204-017-2067-x
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- Article
Open-source QSAR models for pKa prediction using multiple machine learning approaches.
- Published in:
- Journal of Cheminformatics, 2019, v. 11, n. 1, p. N.PAG, doi. 10.1186/s13321-019-0384-1
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- Publication type:
- Article
Linking in silico MS/MS spectra with chemistry data to improve identification of unknowns.
- Published in:
- Scientific Data, 2019, v. 6, n. 1, p. N.PAG, doi. 10.1038/s41597-019-0145-z
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- Publication type:
- Article
Predicting molecular initiating events using chemical target annotations and gene expression.
- Published in:
- BioData Mining, 2022, v. 15, n. 1, p. 1, doi. 10.1186/s13040-022-00292-z
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- Article