https://www.selleckchem.com/pr....oducts/chir-99021-ct
In the context of the present study, our results in general do not support the additional effort of the trained approach.Two different types of approaches (a) approaches that combine quantitative structure activity relationships, quantum mechanical electronic structure methods, and machine-learning and, (b) electronic structure vertical solvation approaches, were used to predict the logP coefficients of 11 molecules as part of the SAMPL6 logP blind prediction challenge. Using electronic structures optimized with density f
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