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Efficiently finding activity cliffs

Akash Surendran1, Ramón Alain Miranda-Quintana1

  • 1Department of Chemistry and Quantum Theory Project, University of Florida, FL, Gainesville, 32611.

Biorxiv : the Preprint Server for Biology
|September 26, 2025
PubMed

Keywords:
activity cliffchemical spaceclusteringsimilaritystructure-activity relationship

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