Table 5.
Optimum number of factors and statistical parameters for calibration and prediction sets for three drugs.
|
|
|
THEO
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|
|
MKST
|
|
|
LORA
|
|
|---|---|---|---|---|---|---|---|---|---|
| Parameters | PLS1 | PCR | HLA | PLS1 | PCR | HLA | PLS1 | PCR | HLA |
| Aa | 4 | 4 | 13 | 5 | 5 | 7 | 4 | 4 | 6 |
| R2CV | 0.998 | 0.998 | 0.998 | 0.999 | 0.999 | 0.999 | 0.998 | 0.998 | 0.998 |
| SEPCV | 0.173 | 0.170 | 0.174 | 0.081 | 0.091 | 0.085 | 0.173 | 0.195 | 0.174 |
| R2PRED RMSEP REP SEPPRED |
0.996 0.184 2.627 0.177 |
0.997 0.173 2.476 0.167 |
0.995 0.214 3.000 0.207 |
0.994 0.187 2.674 0.180 |
0.990 0.264 3.774 0.255 |
0.993 0.195 2.787 0.188 |
0.991 0.292 4.173 0.282 |
0.990 0.301 4.300 0.290 |
0.993 0.251 3.590 0.251 |
a
A is the number of factor or latent variable and obtained at minimum prediction residual error sum of squares (PRESS)56.