Prediction of Aqueous pKa Values for Guanidine-Containing Compounds Using Ab Initio Gas-Phase Equilibrium Bond Lengths | ACS Omega
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Comparison of Predicted pKa Values for Some Amino-Acids, Dipeptides and Tripeptides, Using COSMO-RS, ChemAxon and ACD/Labs Metho
Open Source QSAR Models for pKa Prediction Using Multiple Machine Learning Approaches (ASCCT 2018 poster)
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Scatter plots of ChemAxon and ACD/Labs predictions for the chemicals in... | Download Scientific Diagram
Best of Both Worlds: Combining Pharma Data and State of the Art Modeling Technology To Improve in Silico pKa Prediction
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Open-source QSAR models for pKa prediction using multiple machine learning approaches | Journal of Cheminformatics | Full Text
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Frontiers | Improving Small Molecule pKa Prediction Using Transfer Learning With Graph Neural Networks
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