Articles #

AWS Calculators and predictors #

• Cloud calculation exemplified
• Calculations you can trust
• Calculate on the cloud

Calculators and Predictors #

• Key Properties in Drug Design: Predicting Lipophilicity, pKa and Solubility
• Pushing the limit of logP prediction accuracy: ChemAxon’s results for the SAMPL 6 blind challenge
• Prediction driven design of hERG liability free compounds - webcast
• How do predicted pKa and solubility values compare to reality?

Chemicalize #

• Boost analytical experiments with phys-chem properties - Presentation
• Boost analytical experiments with phys-chem properties - Blog
• One-click access to cutting-edge phys-chem properties

Trainer Engine #

• ICCS 2022 - Translating data to predictive models
• Local and Global Models For Predicting Properties of Small Molecules
• Chemical consistency: from principles to applications
• Leveraging data as future insight
• Trainable models