Open Source QSAR Models for pKa Prediction Using Multiple Machine Learning Approaches (ASCCT 2018 poster)
Best of Both Worlds: Combining Pharma Data and State of the Art Modeling Technology To Improve in Silico pKa Prediction
![Scatter plots of the averaged ChemAxon and ACD/Labs predictions within... | Download Scientific Diagram Scatter plots of the averaged ChemAxon and ACD/Labs predictions within... | Download Scientific Diagram](https://www.researchgate.net/publication/335903032/figure/fig4/AS:804663637073921@1568858169334/Scatter-plots-of-the-averaged-ChemAxon-and-ACD-Labs-predictions-within-2-units-of-each.png)
Scatter plots of the averaged ChemAxon and ACD/Labs predictions within... | Download Scientific Diagram
![Scatter plots of ChemAxon and ACD/Labs predictions for the chemicals in... | Download Scientific Diagram Scatter plots of ChemAxon and ACD/Labs predictions for the chemicals in... | Download Scientific Diagram](https://www.researchgate.net/publication/335903032/figure/fig3/AS:804663637073920@1568858169273/Scatter-plots-of-ChemAxon-and-ACD-Labs-predictions-for-the-chemicals-in-common-within-2_Q320.jpg)
Scatter plots of ChemAxon and ACD/Labs predictions for the chemicals in... | Download Scientific Diagram
![Aqueous pKa prediction for tautomerizable compounds using equilibrium bond lengths | Communications Chemistry Aqueous pKa prediction for tautomerizable compounds using equilibrium bond lengths | Communications Chemistry](https://media.springernature.com/full/springer-static/image/art%3A10.1038%2Fs42004-020-0264-7/MediaObjects/42004_2020_264_Fig1_HTML.png)
Aqueous pKa prediction for tautomerizable compounds using equilibrium bond lengths | Communications Chemistry
Comparison of Predicted pKa Values for Some Amino-Acids, Dipeptides and Tripeptides, Using COSMO-RS, ChemAxon and ACD/Labs Metho
![Frontiers | Improving Small Molecule pKa Prediction Using Transfer Learning With Graph Neural Networks Frontiers | Improving Small Molecule pKa Prediction Using Transfer Learning With Graph Neural Networks](https://www.frontiersin.org/files/MyHome%20Article%20Library/866585/866585_Thumb_400.jpg)