How to use
- The models implemented in this page were developed and published. You can find details of the models here
( https://pubmed.ncbi.nlm.nih.gov/32116729/ )
- Summary of the models are described here.
- Input molecule preparation
- You can draw it in the Molecule Editor (drawing tutorial: https://youtu.be/bJ4wjuPcVIg)
- You can find Smiles Code of your molecule from PubChem ( https://pubchem.ncbi.nlm.nih.gov/ )
- Select molecule type as 'Drug' if the input molecule is a drug molecule or 'Drug metabolite' if it is a drug metabolite. This option will select prediction models to use.
- Click submit button. When prediction outcomes are ready, this page will automatically show the result.