pkCSM
A platform for predicting and optimizing small-molecule pharmacokinetic and toxicity properties.
Overview
pkCSM is a web-based tool that uses graph-based signatures to develop predictive models of central ADMET properties. It allows for the prediction of a wide range of pharmacokinetic and toxicity endpoints, helping researchers to prioritize compounds in the drug discovery process. It is a valuable resource for the academic community.
✨ Key Features
- Prediction of absorption (intestinal absorption, Caco-2 permeability)
- Prediction of distribution (VDss, BBB permeability)
- Prediction of metabolism (CYP substrate/inhibitor)
- Prediction of excretion (total clearance)
- Prediction of toxicity (AMES toxicity, hERG inhibition, hepatotoxicity)
- Free to use
🎯 Key Differentiators
- Use of graph-based signatures for model development
- Broad range of both pharmacokinetic and toxicity endpoints
- Focus on providing a simple, accessible prediction tool
Unique Value: Offers a free and accessible platform for predicting a wide range of ADMET properties using a novel graph-based signature approach.
🎯 Use Cases (3)
✅ Best For
- Frequently cited in scientific publications for ADMET prediction.
💡 Check With Vendor
Verify these considerations match your specific requirements:
- Not suitable for regulated environments.
- User interface is less modern than some other tools.
🏆 Alternatives
Provides a good balance of pharmacokinetic and toxicity predictions compared to other free tools that may focus more on one area.
💻 Platforms
💰 Pricing
Free tier: No explicit limits mentioned.
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