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Prediction of Partition Coefficients of Environmental Toxins Using Computational Chemistry Methods
[Image: see text] The partitioning of compounds between aqueous and other phases is important for predicting toxicity. Although thousands of octanol–water partition coefficients have been measured, these represent only a small fraction of the anthropogenic compounds present in the environment. The o...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6713992/ https://www.ncbi.nlm.nih.gov/pubmed/31497695 http://dx.doi.org/10.1021/acsomega.9b01277 |