Exploring QSAR models for activity-cliff prediction

<p><strong>Introduction and methodology</strong> Pairs of similar compounds that only differ by a small structural modification but exhibit a large difference in their binding affinity for a given target are known as activity cliffs (ACs). It has been hypothesised that QSAR models...

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Bibliographic Details
Main Authors: Dablander, M, Hanser, T, Lambiotte, R, Morris, GM
Format: Journal article
Language:English
Published: BioMed Central 2023