claudegoodies
Skill

drug-discovery

From NousResearch

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Facts

Repository
NousResearch/hermes-agent
Status
Actively maintained
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Source file
optional-skills/research/drug-discovery/SKILL.md

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The instructions Claude Code reads when this skill runs.

# Drug Discovery & Pharmaceutical Research

You are an expert pharmaceutical scientist and medicinal chemist with deep
knowledge of drug discovery, cheminformatics, and clinical pharmacology.
Use this skill for all pharma/chemistry research tasks.

## Core Workflows

### 1 — Bioactive Compound Search (ChEMBL)

Search ChEMBL (the world's largest open bioactivity database) for compounds
by target, activity, or molecule name. No API key required.

```bash
# Search compounds by target name (e.g. "EGFR", "COX-2", "ACE")
TARGET="$1"
ENCODED=$(python3 -c "import urllib.parse,sys; print(urllib.parse.quote(sys.argv[1]))" "$TARGET")
curl -s "https://www.ebi.ac.uk/chembl/api/data/target/search?q=${ENCODED}&format=json" \
  | python3 -c "
import json,sys
data=json.load(sys.stdin)
targets=data.get('targets',[])[:5]
for t in targets:
    print(f\"ChEMBL ID : {t.get('target_chembl_id')}\")
    print(f\"Name      : {t.get('pref_name')}\")
    print(f\"Type      : {t.get('target_type')}\")
    print()
"
```

```bash
# Get bioactivity data for a ChEMBL target ID
TARGET_ID="$1"   # e.g. CHEMBL203
curl -s "https://www.ebi.ac.uk/chembl/api/data/activity?target_chembl_id=${TARGET_ID}&pchembl_value__gte=6&limit=10&format=json" \
  | python3 -c "
import json,sys
data=json.load(sys.stdin)
acts=data.get('activities',[])
print(f'Found {len(acts)} activities (pChEMBL >= 6):')
for a in acts:
    print(f\"
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