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Fig. 4 | Journal of Cheminformatics

Fig. 4

From: A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: reliability-density neighbourhood

Fig. 4

Schematic representation of the difference between the RDN algorithm without (left) and with (right) distance step adaptation. The grey point represents a training instance, and the black points depict external instances scattered across a 2D projection of the 20 molecular feature matrix. Smaller increases in radius around the training instance in grey increase sensitivity in measured accuracy across the AD landscape

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