Table 7.
Atom based 3D-QSAR statistics.
# Factors | SD | r2 | q2 | RMSE | r2ext |
---|---|---|---|---|---|
1 | 0.383 | 0.533 | 0.320 | 0.290 | 0.651 |
2 | 0.283 | 0.751 | 0.439 | 0.250 | 0.754 |
3 | 0.231 | 0.838 | 0.563 | 0.260 | 0.720 |
4 | 0.196 | 0.887 | 0.596 | 0.270 | 0.695 |
Atom based 3D-QSAR statistics.
# Factors | SD | r2 | q2 | RMSE | r2ext |
---|---|---|---|---|---|
1 | 0.383 | 0.533 | 0.320 | 0.290 | 0.651 |
2 | 0.283 | 0.751 | 0.439 | 0.250 | 0.754 |
3 | 0.231 | 0.838 | 0.563 | 0.260 | 0.720 |
4 | 0.196 | 0.887 | 0.596 | 0.270 | 0.695 |