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Table 1 BitterMatch results on the validation set using the “new ligands” model

From: BitterMatch: recommendation systems for matching molecules with bitter taste receptors

  True positives True negatives False positives False negatives
# of compounds 16 210 4 22
# of compounds (excluding 3 pairs) 13 210 4 22
  1. Associations of 12 new compounds (252 pairs) were predicted by the “new ligands” model and validated via functional in-vitro experiments. The results of 3 compounds with TAS2R39 (butein, 3,2′-Dihydroxychalcone and apigenin) did not match the experimental results of Roland et al. [40]. Therefore these three pairs were excluded from the analysis