DDI CoMed Institute of Biomedical Chemistry

Drug interaction prediction from two structures

DDI CoMed predicts drug–drug interactions from structure alone, including for compounds that have never been synthesised.

This is not a drug interaction checker. It reports what the models predict, not what is documented in the clinic.

Compound 1

Compound 2

Draw a structure, paste SMILES or type a drug name — any one of the three fills the others. A run takes about a minute.

What comes back

A severity class from the three‑ and five‑class models, the mechanisms of the interaction with their own severities, the CYP450 role of each compound and where the two overlap, and an AI reading of the whole profile against the literature.