...
- Uploading the SDF file with molecule structures
- Providing a Name, CAS-RN or SMILES. The Name and CAS-RN will be used to search for a molecule structure in PubChem
- Drawing a molecule in sketcher
- Selecting a previously prepared dataset (see Working with datasets for details)
- Selecting all molecules marked by a specific tag
Click "Next>>" to proceed to the prediction process. Once all the selected models were applied to the molecules, you are redirected to the predictions browser.
You can either review the prediction values in the predictions browser, or export the predictions in the format of your choice (see Exporting data from OCHEM).