Core-cph SMARTCyp
Prediction of Cytochrome P450 mediated metabolism.
Overview
SMARTCyp is a software tool developed by Core-cph that predicts the sites of metabolism for drug-like molecules by cytochrome P450 enzymes. It is based on a combination of reactivity and accessibility descriptors. Understanding the sites of metabolism is crucial for designing compounds with improved metabolic stability and avoiding the formation of reactive metabolites.
✨ Key Features
- Prediction of sites of metabolism by major CYP isoforms (3A4, 2D6, 2C9)
- Based on reactivity and accessibility principles
- Available as a web server and command-line tool
- Can be used to rationalize observed metabolism and guide compound design
🎯 Key Differentiators
- Focus on a specific, important problem (site of metabolism)
- Mechanistically interpretable model
- Free web server for academic use
Unique Value: Provides a fast, mechanistically intuitive, and accessible tool for predicting sites of metabolism, enabling medicinal chemists to rationally design more stable compounds.
🎯 Use Cases (4)
✅ Best For
- Widely used and validated in the scientific community for predicting sites of metabolism.
💡 Check With Vendor
Verify these considerations match your specific requirements:
- Does not predict the rate of metabolism or overall clearance.
- Limited to CYP-mediated metabolism.
🏆 Alternatives
Offers a simpler and more focused solution for site of metabolism prediction compared to the large, multi-functional ADMET platforms.
💻 Platforms
✅ Offline Mode Available
🛟 Support Options
- ✓ Email Support
- ✓ Dedicated Support (Commercial license tier)
💰 Pricing
Free tier: Web server is free for academic use.
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