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Publisher: Zenodo
Type: dataset
Subjects: Active compounds, Multi-target activities, Interference compounds, Polypharmacology, Promiscuity cliffs, Structure-activity relationships, PAINS

Reported are the 784 promiscuity cliffs formed by compounds from medicinal chemistry sources. Compounds forming cliffs are provided as SMILES. For each compound its promiscuity degree (PD) and the list of ChEMBL target IDs are provided. 

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