This a Jupyter notebook showing how to use a set of in house defined regular expressions (Regex) to extract PK/PD parameters from ChEMBL assay description. This script was used in production to enrich the ACTIVITY_PROPERTIES table in ChEMBL 34.
- Python 3.10+
- Jupyter Notebook or Jupter Lab (to read the notebook)
Integrating Artificial Intelligence and Manual Curation to Enhance Bioassay Annotations in ChEMBL. Ines Smit, Melissa F. Adasme, Emma Manners, Sybilla Corbett, Nicolas Bosc, Hoang-My-Anh Do, Andrew R Leach, Noel M. O’Boyle, Barbara Zdrazil, 2026, submitted