Revisiting the Use of Quantum Chemical Calculations in LogPoctanol-water Prediction
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DOI: 10.3390/molecules28020801
Abstract: 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… read more here.
Keywords: calculations logpoctanol; chemical calculations; use quantum; prediction ... See more keywords