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BytesAgain β€Ί Skills β€Ί PharmaClaw Pharmacology Agent
πŸ¦€ ClawHub

PharmaClaw Pharmacology Agent

by @cheminempharmaclaw

Pharmacology agent for ADME/PK profiling of drug candidates from SMILES. Computes drug-likeness (Lipinski Ro5, Veber rules), QED, SA Score, ADME predictions...

Versionv2.0.1
#clawhub
πŸ’‘ Examples

# Profile a molecule from SMILES
exec python scripts/chain_entry.py --input-json '{"smiles": "CC(=O)Oc1ccccc1C(=O)O", "context": "user"}'
Chain from chemistry-query output

exec python scripts/chain_entry.py --input-json '{"smiles": "", "context": "from_chemistry"}'

View on ClawHub
TERMINAL
clawhub install pcl-pharmacology-agent

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