Figure 6

Detailed contributions to affinity. A Contributions of TM regions in amine GPCRs to the ligand affinity according to the proteochemometrics models created using PLS in combination with the variable selection method PLSfilter. The contributions are shown for all the 21 receptors, for each receptor 23 bars corresponding to the 23 ligands are shown (in alphabetical order i.e., Amperozide, Clozapine, Fluparoxan, Fluspirilene, GGR218231, Haloperidol, L741626, MDL100,907, ORG5222, Ocaperidone, Olanzapine, Pipamperone, Raclopride, Risperidone, S16924, S18327, S33084, Seroquel, Sertindole, Tiospirone, Yohimbine, Ziprasidone, Zotepine). The blue bars show the average contribution and the height of the green bars show one standard deviation. The average value and standard deviation were computed using all the 500 models designed (100 repeats and five blocks for each repeat). B Contributions of TM regions in α₁-adrenoreceptors to the ligand affinity according to the proteochemometrics models created using RR in combination with the variable selection method PLSfilter. The contributions are shown for all the 18 receptors, for each receptor 12 bars corresponding to the 12 ligands are shown (in numerical order 1–12). The blue bars show the average contribution and the height of the green bars show one standard deviation. The average value and standard deviation were computed using all the 500 models (100 repeats and five blocks for each repeat).