dihexa predicted pka Development of a predictor (pKaLearn) by leveraging teaching experience to improve machine learning Physicochemical Properties – Cambridge MedChem
Physicochemical Properties Cambridge MedChem Consulting Calculating pKa with Density Functional Theory Table 8 from Prediction of pKa Values for Aliphatic Carboxylic Acids and Alcohols with Empirical Atomic Charge Descriptors Semantic Scholar Dihexa (PNB 0408) Open source QSAR models for pKa prediction using multiple machine learning approaches Journal of Cheminformatics Springer Nature Link Dihexa 1401708 83 5 BGC70883 Biosynth
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