Source: https://github.com/aipoch/medical-research-skills

When to Use

Find candidate compounds by name or synonym (e.g., searching for “aspirin”) and retrieve their ChEMBL records.
Filter molecules by physicochemical properties (e.g., molecular weight, LogP) to narrow down drug-like candidates.
Look up targets (proteins/complexes) and connect them to ligands and known bioactivity measurements.
Retrieve bioactivity data (e.g., IC50, Ki, EC50) for specific compound–target interactions to support SAR or benchmarking.
Identify approved drugs and fetch mechanism-of-action information for target validation or competitive landscape analysis.

Key Features

Molecule search by preferred name and other metadata fields.
Property-based filtering (e.g., MW, LogP) using ChEMBL API filter syntax.
Structure-aware querying via SMILES (where supported by the API/client).
Target lookup and navigation between targets, molecules, and activities.
Bioactivity retrieval for common endpoints (IC50, Ki, EC50) and related assay context.
Access to drug-related records, including mechanism information for approved drugs.