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Revisiting the Use of Quantum Chemical Calculations in LogP(octanol-water) Prediction

The partition coefficients of drug and drug-like molecules between an aqueous and organic phase are an important property for developing new therapeutics. The predictive power of computational methods is used extensively to predict partition coefficients of molecules. The application of quantum chem...

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Detalles Bibliográficos
Autores principales:	Roy, Dipankar, Patel, Chandan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Review
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9866719/ https://www.ncbi.nlm.nih.gov/pubmed/36677858 http://dx.doi.org/10.3390/molecules28020801

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