ADMET-AI
A machine learning ADMET platform for evaluation of large-scale chemical libraries.
Overview
ADMET-AI is a platform for ADMET prediction that offers both an easy-to-use website and a powerful Python package. It uses graph neural networks to predict a wide range of ADMET properties and is designed for high-throughput screening of large chemical libraries. It also provides context for its predictions by comparing them to the properties of approved drugs.
✨ Key Features
- Prediction of 41 ADMET properties
- Fast prediction speeds
- Web interface for up to 1,000 molecules
- Python package for large-scale prediction
- Comparison of predictions to approved drugs from DrugBank
- Open-source
🎯 Key Differentiators
- High prediction speed
- Availability as a Python package for large-scale use
- Use of modern graph neural network architecture
- Contextualization of predictions with DrugBank data
Unique Value: Provides a free, fast, and accurate open-source platform for large-scale ADMET prediction, bridging the gap between web-based tools and the needs of computational drug discovery.
🎯 Use Cases (4)
✅ Best For
- Models have shown high performance on the TDC ADMET Benchmark Group leaderboard.
💡 Check With Vendor
Verify these considerations match your specific requirements:
- Not suitable for use in regulated environments.
- Web interface has a limit on the number of molecules.
🏆 Alternatives
Offers superior speed and scalability for large datasets compared to other free web servers.
💻 Platforms
✅ Offline Mode Available
🔌 Integrations
💰 Pricing
Free tier: Web interface limited to 1,000 molecules per prediction.
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