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Direct Prediction of Physicochemical Properties and Toxicities of Chemicals from Analytical Descriptors by GC–MS
[Image: see text] With advances in machine learning (ML) techniques, the quantitative structure–activity relationship (QSAR) approach is becoming popular for evaluating chemicals. However, the QSAR approach requires that the chemical structure of the target compound is known and that it should be co...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9246259/ https://www.ncbi.nlm.nih.gov/pubmed/35700270 http://dx.doi.org/10.1021/acs.analchem.2c01667 |