QSAR models can be applied on any molecule given by the user. This can be useful for spot-checks. Clicking on the Test button will redirect the user to the scoring page.
- Type in or copy/paste the smiles you want to score.
- The molecule corresponding to the input smiles will be displayed.
- Click the Predict button.
- All the results can either be exported and downloaded or flushed.
- When predicting the results for a new molecule, it is added to the table.
- Prediction can be done for a library of molecules by simply uploading a CSV file of SMILES as opposed to typing in each SMILES individually.