Input page

The input page allows you to submit a query molecule either by writing/pasting the SMILES in the input text box, or by using the JSME molecular editor. Once the input text box is filled, clik on the "Predict pIC50" button.

Results page

In the results page, the chemical structure of the query as submitted is displayed

A table shows the protein targets for which the compound's pIC50 is predicted.

Predictions of the individual models for the protein targets can be downloaded as CSV/PDF file.