Innovation points for DEEPCYPs

Various Service

Users can draw a structure online, input or upload structures in SMILES format to conveniently predict the inhibitory activity and selectivity of molecules against five major CYP isoforms (e.g., CYP1A2, CYP2C19, CYP2C9, CYP2D6, and CYP3A4).

Prediction Results

The prediction results are displayed in the form of tables or radar charts, and the download function is provided.

Application Field

The DEEPCYPs online platform can promote the prediction of drug-drug interactions in clinical practice and could be used to rule out inappropriate compounds in the early stages of drug discovery and/or identify new CYPs inhibitors.

Multi-task FP-GNN Deep Learning Model