TABLE 3.
CoMFA PLS summary results
| Data set | Statistical data
|
|||||
|---|---|---|---|---|---|---|
|
r2
|
SE | F value | No. of components | No. of compounds | ||
| Cross-validated | Conventional | |||||
| D1 | 0.488 | 0.952 | 0.404 | 147.9 | 5 | 43 |
| D2 | 0.699 | 0.964 | 0.340 | 159.5 | 5 | 36 |
CoMFA PLS summary results
| Data set | Statistical data
|
|||||
|---|---|---|---|---|---|---|
|
r2
|
SE | F value | No. of components | No. of compounds | ||
| Cross-validated | Conventional | |||||
| D1 | 0.488 | 0.952 | 0.404 | 147.9 | 5 | 43 |
| D2 | 0.699 | 0.964 | 0.340 | 159.5 | 5 | 36 |