TABLE 2

Statistical parameters for 3D-QSAR analyses

Type q2pressr2s #c % Steric % Electrostatic
CoMFA
   hCNT1 0.65 25.91 0.98 6.04 5 0.46 0.54
   hCNT2 0.52 24.33 0.83 14.5 2 0.51a 0.49b
   hENT1 0.74 21.50 1.00 2.10 8 0.47 0.53
GOLPE
   hCNT1 0.69 20.20 0.89 12.00 3
   hCNT2 0.69 18.42 0.96 6.94 5
   hENT1 0.70 20.11 0.92 10.23 4

  • ↵ a %HB acceptor for hCNT2

  • ↵ b %HB donor for hCNT2

  • ↵ c Number of components used for non–cross-validated analyses