ChemAxon Calculators Team

Welcome to the ChemAxon Calculators Team’s page! On this page you can find collected links related to the Calculator Plugins, the product developed by our team.

Our new projects

The following links provide information about our new projects related to the Calculators.

Trainer Engine

The Trainer Engine is our new tool for creating training models and using them for physico-chemical property prediction. For details follow the user guide.

Playground project

Playground is is our new web application to access the ChemAxon Calculators in an interactive and easy-to-use way. Take a look at the following pages for more information:

hERG predictor

ChemAxon’s hERG Predictor can predict hERG pActivity values based on a model that was built on a wide variety of publicly available data sources. See the details of our hERG model below:

Older demo pages

These pages allow you to try our calculators and their different features. You can

Reports

We test the performance of our calculators on experimental datasets to ensure the quality of prediction. The result of these tests are available as performance reports:

Publications

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