DrugMetPro Platform

A user-friendly platform for drug metabolism prediction and similarity search, combining similarity retrieval, site of metabolism prediction, and advanced AI-powered metabolite prediction — designed to support faster drug metabolism research.

Similarity Search

Quickly find similar drug metabolites using Tanimoto similarity search based on Morgan fingerprints, supporting both single-step and multi-step reactions with adjustable similarity settings.

Start Search
Site of Metabolism Prediction

Predict site of metabolism with GNN-powered models for 15 key endpoints (CYP family, UGT, hAOX, and more), featuring atom-level highlighted molecule visualization. Supports both single and batch input.

Start Predict
Metabolite Prediction

Predict potential metabolites using an end-to-end, prompt-based Transformer model, supporting both single and batch input with customizable prediction counts.

Start Predict

Metabolism Prediction

Compound Similarity Search
Examples: |
Search Mode
0.1 (loose) 1.0 (strict)
Site of Metabolism Prediction
Graph neural network based model for site of metabolism prediction, supporting 15 different drug metabolizing enzymes and reaction types.
Examples: | |
Metabolite Prediction (MetaPredictor)
Transformer-based metabolite prediction powered by MetaPredictor / OpenNMT.
Est. 1–5 min (depends on compound count)
GPU inference
Examples: | |