bio-admet-prediction
Installation
SKILL.md
Version Compatibility
Reference examples tested with: RDKit 2024.03+, pandas 2.2+
Before using code patterns, verify installed versions match. If versions differ:
- Python:
pip show <package>thenhelp(module.function)to check signatures
If code throws ImportError, AttributeError, or TypeError, introspect the installed package and adapt the example to match the actual API rather than retrying.
ADMET Prediction
"Predict the drug-likeness and toxicity of my compounds" → Estimate ADMET properties (bioavailability, CYP inhibition, hERG liability, toxicity) for candidate molecules using the ADMETlab 3.0 API or RDKit PAINS/structural alert filters, producing a safety/drugability profile for lead prioritization.
- Python: ADMETlab 3.0 REST API via
requests,FilterCatalogfor PAINS (RDKit)
Predict absorption, distribution, metabolism, excretion, and toxicity properties.