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lovingscience/
chembl-target-sar

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Dataset Card for Aggregated ChEMBL Target-SAR Matrix (lovingscience/chembl-v37-target-sar)

This dataset is a vectorized, aggregated Structure-Activity Relationship (SAR) matrix derived from ChEMBL Release 37, linking target-ligand pairs with primary bioactivity values and classification bounds.

Aggregation & Endpoint Hierarchy Rules

ChEMBL Release Version: 37 Primary Endpoint Selection Hierarchy: Kd > Ki > IC50 > EC50 > AC50 (highest confidence endpoint selected… See the full description on the dataset page: https://huggingface.co/datasets/lovingscience/chembl-target-sar.