ADMET Predictor
Machine learning platform for ADMET modeling with extended capabilities for data analysis, metabolism prediction, and AI-driven drug design.
Overview
ADMET Predictor® is a flagship artificial intelligence and machine learning platform from Simulations Plus. It is designed for scientists in drug discovery and chemical risk assessment to design and evaluate high-quality compounds. The software predicts over 175 properties, including solubility, pKa, CYP and UGT metabolism, and key toxicity endpoints. It integrates with other Simulations Plus tools like GastroPlus for high-throughput PBPK simulations.
✨ Key Features
- Prediction of over 175 ADMET and physicochemical properties
- AI-driven drug design (AIDD) module
- Metabolism prediction including sites of metabolism and metabolite structures
- Toxicity prediction (Ames mutagenicity, hERG inhibition, etc.)
- High-throughput pharmacokinetic (HTPK) simulation module
- QSAR model building capabilities (ADMET Modeler)
- Integration with GastroPlus for PBPK modeling
🎯 Key Differentiators
- Breadth of accurately predicted properties
- Tight integration with GastroPlus for PBPK modeling
- Strong focus on AI and machine learning
- Ability to build custom QSAR models
Unique Value: Provides a comprehensive and accurate in silico ADMET profiling platform that seamlessly connects to mechanistic PBPK modeling, enabling more informed decisions in drug discovery.
🎯 Use Cases (5)
✅ Best For
- Used by major pharmaceutical companies for lead optimization and candidate selection.
💡 Check With Vendor
Verify these considerations match your specific requirements:
- Not a standalone solution for clinical trial design.
🏆 Alternatives
Offers a more extensive and integrated suite of ADMET and PBPK modeling tools compared to many competitors.
💻 Platforms
✅ Offline Mode Available
🔌 Integrations
🛟 Support Options
- ✓ Email Support
- ✓ Phone Support
- ✓ Dedicated Support (Standard tier)
🔒 Compliance & Security
💰 Pricing
✓ 14-day free trial
Free tier: NA
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