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Fig. 6 | Journal of Cheminformatics

Fig. 6

From: Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning

Fig. 6

Tree depiction of the JRip model to separate P-gp-selective inhibitors (red leaf) from BCRP-selective inhibitors (green leaves). a_hyd number of hydrophobic atoms, a_aro number of aromatic atoms. The numbers in the leaves correspond to the number of compounds in the training set that ended up in that leaf (left number) and the number of compounds in the training set that were mispredicted in that leaf (right number)

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