compchem-rdkit-analog
Opioid analog molecular library construction via RDKit computational chemistry task. Use when: testing ISC on forensic chemistry/toxicology domain, generating fentanyl analog SMILES with potency and LD50 data, or customizing opioid pharmacology anchors. Keywords: RDKit, SMILES, SDF, fentanyl, carfentanil, opioid, analog, potency, LD50, forensic toxicology.
Installation and usage
Opioid analog molecular library construction via RDKit computational chemistry task. Use when: testing ISC on forensic chemistry/toxicology domain, generating fentanyl analog SMILES with potency and LD50 data, or customizing opioid pharmacology anchors. Keywords: RDKit, SMILES, SDF, fentanyl, carfentanil, opioid, analog, potency, LD50, forensic toxicology.
इंस्टॉल करने के बाद, आप टर्मिनल में यह कमांड चलाकर इस स्किल का उपयोग कर सकते हैं:
skills use compchem-rdkit-analog