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Fig. 1 | Journal of Cheminformatics

Fig. 1

From: Exploring QSAR models for activity-cliff prediction

Fig. 1

Example of an activity cliff (AC) for blood coagulation factor Xa. A small structural transformation in the upper compound leads to an increase in inhibitory activity of almost three orders of magnitude. Both compounds were identified in the same ChEMBL assay with ID 658338

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