DDI-Pred is a freely available web-service for computer drug-drug interaction prediction . Please note, this is not a drug interaction checker!
Computer models allow predicting drug interactions for chemical compounds, including virtual ones that are not yet synthesized, using their structures.
How to predict DDI (Drug-Drug Interactions)
Input a pair of structures. Use one of the options: (1) MarvinSketch applet, (2) SMILES or (3) Drug names.
Click the "PREDICT DDI" button.
Prediction results for a pair of the entered structures will appear immediately in the tabs on the right (the results for each individual model will be presented in a separate tab). For this moment, the web-service predicts DDI severity (risk level), DDI on the level of various isoforms of cytochrome P450, mechanisms of drug interaction, and adverse cardiovascular effects of potential DDI’s.
Drugs name
SMILES
Drugs name
SMILES
How to cite DDI predictor
In case of using the service, please cite the publication:
Dmitriev, A.; Filimonov, D.; Lagunin, A.; Karasev, D.; Pogodin, P.; Rudik, A.; Poroikov, V. Prediction of Severity of Drug-Drug Interactions Caused by Enzyme Inhibition and Activation. Molecules 2019, 24, 3955. https://doi.org/10.3390/molecules24213955