TABLE 2 

Pairwise comparisons of individual attributes for the four SLC22 transportersa

Pairwise ComparisonNumber of Attributes, by P ValueTop Eight Attributes Ranked by P Valuea
<0.005<0.01<0.05
OAT1 versus OCT1272937nof_posCharge (P = 5.95E-23)nof_negCharge (P = 4.92E-13)nof_adb (P = 2.4E-12)nof_ao (P = 3.17E-09)nof_hbam (P = 2.28E-08)SP3 Character (P = 1.34E-07)Number of hydrogens (P = 7.93E-07)nof_asv (P = 1.11E-06)
OAT3 versus OCT1171823nof_negCharge (P = 1.10E-16)nof_posCharge (P = 2.44E-15)nof_adb (P = 4.98E-13)nof_ao (P = 3.07E-10)nof_hbam (P = 7.08E-09)molPSA (P = 1.38E-06)SP3 Character (P = 2.7E-06)Topological polar surface area (P = 3.63E-06)
OAT1 versus OCT2162128nof_posCharge (P = 1.45E-19)nof_negCharge (P = 1.31E-13)nof_adb (P = 1.52E-11)nof_ao (P = 1.15E-10)nof_hbam (P = 1.08E-09)SP3 Character (P = 4.59E-07)molPSA (P = 8.03E-07)nof_adv (P = 1.64E-06)
OAT3 versus OCT2172027nof_negCharge (P = 3.52E-17)nof_posCharge (P = 8.12E-14)nof_ao (P = 1.71E-11)nof_adb (P = 3.24E-11)nof_hbam (P = 1.27E-09)Hydrogen Bond Acceptors (P = 1.03E-06)molPSA (P = 1.32983E-06)nof_adv (P = 1.66E-06)
OAT1 versus OAT31218nof_aqv (P = 0.00257)nof_posCharge (P = 0.00586)nof_asv (P = 0.01339)nof_asb (P = 0.01364)nof_rbc (P = 0.01432)molVolume (P = 0.01828)Fragment Complexity (P = 0.01924)Number of hydrogens (P = 0.01964)
OCT1 Versus OCT261230nof_s (P = 0.00171)molWeight (P = 0.00382)LabuteASA (P = 0.00451)Number of heavy atoms (P = 0.00495)SMR (P = 0.00497)nof_hac (P = 0.00514)Vertex adjacency information magnitude (P = 0.00527)nof_rings6 (P = 0.00545)
  • a The Student’s t tests calculated the P values for each attribute for each pairwise transporter comparison, and the level of significance is indicated. The results are found to be consistent with the results from the machine-learning analyses.