Auditable ChEMBL-derived benchmark for coumarin bioactivity with organism-aware target-family mapping, QSAR-readiness assessment, activity-landscape analysis, and reproducible release materials.
cheminformatics computational-chemistry reproducibility qsar chembl benchmark-datasets chemical-space medicinal-chemistry target-annotation activity-cliffs bioactivity-data coumarin
-
Updated
Apr 24, 2026 - Python