dihexa predicted pka Phenol Substituents and Their Observed and Values Open-source QSAR models for pKa

Open source QSAR models for pKa prediction using multiple machine learning approaches Journal of Cheminformatics Springer Nature Link Table 8 from Prediction of pKa Values for Aliphatic Carboxylic Acids and Alcohols with Empirical Atomic Charge Descriptors Semantic Scholar Phenols, Alcohols and Carboxylic Acids pKa Values pKa prediction using quantum mechanics and machine learning Optibrium Determination of acid dissociation constants (pKa) of cephalosporin antibiotics: Computational and experimental approaches ScienceDirect

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