Table 10.
Statistical validation results of the best 3D-QSAR models.
3D-QSAR Models | Q2 | R2 | SEE | N | R2test |
---|---|---|---|---|---|
CoMFA_E + S | 0.539 | 0.903 | 0.0615 | 5 | 0.5386 |
CoMSIA_E + A | 0.547 | 0.880 | 0.0673 | 4 | 0.6015 |
CoMSIA_S + E + A | 0.512 | 0.874 | 0.0691 | 4 | 0.6276 |
CoMSIA_E + A + D | 0.526 | 0.936 | 0.0502 | 5 | 0.6041 |
CoMSIA_E + H + D + A | 0.534 | 0.963 | 0.0395 | 7 | 0.6890 |