Table 2 Statistical parameters of linear models predicting docking time (Autodock Vina)
Equation number | Parameters | Equation | R2CV | R2test |
|---|---|---|---|---|
1 | HAC | time (s) = 624.144–63.215 × HAC + 1.735 × HAC2 | 0.765 | 0.789 |
2 | RTB | time (s) = − 68.856 + 58.457 × RTB + 1.321 × RTB2 | 0.594 | 0.606 |
3 | HAC, RTB | time (s) = 465.979–59.714 × RTB − 0.375 × RTB2 − 36.723 × HAC + 0.745 × HAC2 + 3.48 × RTB × HAC | 0.925 | 0.926 |