dihexa predicted pka (PNB-0408) Open-source QSAR models for pKa
Open source QSAR models for pKa prediction using multiple machine learning approaches Journal of Cheminformatics Springer Nature Link Development of a pKa predictor (pKaLearn) by leveraging teaching experience to improve machine learning Communications Chemistry pKa prediction using quantum mechanics and machine learning Optibrium pKa prediction in nonaqueous solvents Zheng 2025 Journal of Computational Chemistry Wiley Online Library Recent Developments of Computational Methods for pKa Prediction Based on Electronic Structure Theory with Solvation Models Towards the Eldorado of pKa Determination: A Reliable and Rapid DFT Model
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