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Calculation of Lipophilicity of Organophosphate Pesticides Using Density Functional Theory
Higher lipophilicity facilitates the passage of a substance across lipid cell membranes, the blood–brain barrier and protein binding, and may also indicate its toxicity. We proposed eight methods for predicting the lipophilicity of the 22 most commonly used organophosphate pesticides. In this work,...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9228327/ https://www.ncbi.nlm.nih.gov/pubmed/35736339 http://dx.doi.org/10.3390/membranes12060632 |