Checking ChEMBL for Structured SAR Data

Overview

ChEMBL is a manually curated database of ~99,000 medicinal chemistry papers with extracted, standardized bioactivity data. If a paper is in ChEMBL, you can access structured data without parsing PDFs.

Core principle: Check ChEMBL first for medicinal chemistry papers. Curated data is more reliable than table parsing.

When to Use

Use this skill when:

• Paper describes medicinal chemistry / drug discovery
• Abstract mentions compound series, SAR, or activity data
• Paper has IC50, MIC, Ki, EC50, or other bioactivity measurements
• Before attempting to extract data from tables/figures
• Paper scored ≥ 7 in relevance evaluation