Useful Links #

Official #

• Chemaxon website
• Official documentation
• Chemaxon official support

Calculators #

Execute high quality physico-chemical calculations on various platforms (e.g. CLI, in Microsoft Office products, REST interface, KNIME, Java library)

• Try out a few calculators on the Playground demo page
• Calculators products on the Chemaxon website
• Official documentation - Calculators

Calculators in the cloud #

It's never been easier to use Chemaxon calculation with the new pay-as-you-go pricing model on AWS Marketplace:

• Calculators on AWS Marketplace
• Calculators on AWS Marketplace - documentation
• Simple code examples on how to use Calculators on AWS Marketplace

Machine Learning at Chemaxon #

Trainer Engine is a product that allows you to build your own chemical models and predict various properties based on your own dataset:

• Trainer Engine demo
• Trainer Engine on the Chemaxon website
• Official documentation - Trainer Engine

Publications #

We collected some materials related to the ChemAxon Calculators here that might be interesting for you

• How do predicted pKa and solubility values compare to reality?