dihexa predicted pka Table 1 from Prediction of Values for Aliphatic Carboxylic Acids and Alcohols with Empirical Atomic Charge Descriptors Open-source QSAR models for pKa

Open source QSAR models for pKa prediction using multiple machine learning approaches Journal of Cheminformatics Springer Nature Link Compounds considered for theoretical pKa calculation Download Scientific Diagram Recent Developments of Computational Methods for pKa Prediction Based on Electronic Structure Theory with Solvation Models pKa prediction using quantum mechanics and machine learning Optibrium Dihexa (PNB 0408)

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