Supplementary Data Chemioinformatic analysis of selectivity and promiscuity in bitter molecules and receptors Antonella Di Pizio and Masha Y Niv Table S1. Structures, names and THR values of Set 2 and Set 3. Compounds included in Set 2 are designated by x in the appropriate column, S and P are selective and promiscuous compounds in Set 3, respectively. Prediction of promiscuity of Set 2 obtained with the classifier is shown in the column "predicted promiscuity". THR Structure Name Set 3 Set 2 Predicted promiscuity (hTAS2Rs) x P Diphenidol 0.65 0.85 x P 0.39 0.83 Quinine x P 0.35 0.83 Chlorpheniramine x P 0.30 0.61 Amarogentin P 0.30 0.68 Denatonium benzoate
Supplementary Data Chemioinformatic analysis of selectivity and promiscuity in bitter molecules and receptors Antonella Di Pizio and Masha Y Niv Table S1. Structures, names and THR values of Set 2 and Set 3. Compounds included in Set 2 are designated by x in the appropriate column, S and P are selective and promiscuous compounds in Set 3, respectively. Prediction of promiscuity of Set 2 obtained with the classifier is shown in the column "predicted promiscuity". Structure Name Set 3 Set 2 THR (hTAS2Rs) Predicted promiscuity Diphenidol x P 0.65 0.85 Quinine x P 0.39 0.83 Chlorpheniramine x P 0.35 0.83 Amarogentin x P 0.30 0.61 Denatonium benzoate P 0.30 0.68