Table 2.
QSRR model describing the retention of 94 metabolite standards for the Amide column based on Equation (1) and using their retention data on the Bare Silica column as a reference column.
| MDs/tR(R) | Adjustable Parameters |
|---|---|
| tpsaEfficiency | 5.62 ± 0.81 |
| XLogP | −0.53 ± 0.11 |
| nBase | 0.67 ± 0.46 |
| MDEC.33 | 0.24 ± 0.60 |
| nR | −1.49 ± 2.19 |
| C2SP3 | 0.03 ± 0.08 |
| tR(R) | 0.60 ± 0.07 |
| 1.3/4.2/1.7 1 |
1 Average absolute difference of experimental and calculated tR/Maximum absolute difference of experimental and calculated tR/Standard error of the estimate SEE.