How to use

  • The models implemented in this page were developed and published. You can find details of the models here
    ( )
  • Summary of the models are described here.
  • Input molecule preparation
  • 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.

Molecule Editor

Smiles Code

Molecule Type

B. Bienfait and P. Ertl, JSME: a free molecule editor in JavaScript, J. Cheminformatics 5:24 (2013)