Structures

Please use the Structure search page to retrieve chemical compounds.

Predictions

At the Structure search page, please use the button at the prediction menu to launch calculations.

Example:

• Predictions
• Molecular weight

Predictive models

All available models are listed at the Models page. In general, models are built using the available algorithms at the Algorithm page. Most algorithms require a training dataset, but some are predefined set of rules as Toxtree and do not need a training set. Just use the Toxtree: Cramer rules Run button in order to obtain a model. It will then appear in the Structure search page.

Troubleshooting

After the initial launch of the system the list of models is empty. Click here to initialize AMBIT with ToxTree prediction modules.