Table 2 Prediction of validation set samples using the proposed chemometric methods; PLS and PCR (a) ANN and MCR-ALS (b)
(a) Prediction of validation set samples using PLS and PCR models | |||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Concentration (µg/mL) | PLS | PCR | |||||||||||||||
PAR | HYO | PNP | PCA | TRO | PAP | PAR | HYO | PNP | PCA | TRO | PAP | PAR | HYO | PNP | PCA | TRO | PAP |
8.00 | 18.00 | 5.00 | 0.60 | 6.00 | 3.00 | 100.05 | 95.30 | 100.61 | 97.59 | 103.11 | 101.37 | 98.08 | 97.85 | 102.47 | 101.12 | 99.12 | 101.72 |
6.00 | 18.00 | 2.00 | 0.70 | 12.00 | 5.00 | 98.75 | 100.40 | 98.14 | 100.43 | 99.63 | 98.11 | 99.28 | 100.72 | 99.09 | 102.86 | 100.15 | 97.88 |
5.00 | 22.00 | 5.00 | 0.70 | 8.00 | 6.00 | 101.46 | 97.65 | 100.55 | 97.708 | 103.44 | 99.81 | 102.44 | 97.71 | 99.74 | 99.10 | 102.42 | 99.51 |
7.00 | 24.00 | 4.00 | 0.60 | 12.00 | 6.00 | 99.55 | 99.28 | 98.93 | 103.21 | 102.34 | 99.98 | 102.20 | 99.28 | 97.19 | 100.50 | 98.95 | 101.11 |
6.00 | 24.00 | 5.00 | 0.40 | 10.00 | 2.00 | 99.58 | 98.68 | 102.26 | 99.54 | 101.77 | 97.88 | 99.38 | 99.12 | 102.44 | 102.36 | 101.28 | 97.59 |
8.00 | 24.00 | 1.00 | 0.70 | 4.00 | 4.00 | 100.68 | 95.36 | 100.43 | 98.71 | 99.84 | 99.20 | 101.56 | 100.01 | 98.76 | 98.77 | 99.39 | 100.63 |
4.00 | 22.00 | 1.00 | 0.60 | 10.00 | 5.00 | 101.46 | 98.59 | 98.35 | 100.62 | 101.43 | 98.78 | 97.78 | 100.47 | 101.24 | 100.75 | 98.42 | 98.73 |
7.00 | 18.00 | 1.00 | 0.50 | 8.00 | 2.00 | 99.45 | 98.45 | 96.42 | 99.43 | 100.08 | 99.13 | 98.49 | 101.45 | 98.90 | 100.39 | 99.72 | 101.97 |
Mean (%) | 100.12 | 97.96 | 99.46 | 99.65 | 101.45 | 99.28 | 99.90 | 99.58 | 99.98 | 100.73 | 99.93 | 99.89 | |||||
RSD (%) | 0.98 | 1.84 | 1.85 | 1.82 | 1.46 | 1.12 | 1.89 | 1.34 | 1.89 | 1.40 | 1.32 | 1.71 | |||||
(b) Prediction of validation set samples using ANN and MCR-ALS models | |||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Concentration (µg/mL) | ANN | MCR-ALS | |||||||||||||||
PAR | HYO | PNP | PCA | TRO | PAP | PAR | HYO | PNP | PCA | TRO | PAP | PAR | HYO | PNP | PCA | TRO | PAP |
8.00 | 18.00 | 5.00 | 0.60 | 6.00 | 3.00 | 100.03 | 99.84 | 99.25 | 99.12 | 100.53 | 101.86 | 98.21 | 102.14 | 100.88 | 101.91 | 98.68 | 101.20 |
6.00 | 18.00 | 2.00 | 0.70 | 12.00 | 5.00 | 100.26 | 100.08 | 99.24 | 98.56 | 99.69 | 99.57 | 97.82 | 100.22 | 98.37 | 99.25 | 99.12 | 98.78 |
5.00 | 22.00 | 5.00 | 0.70 | 8.00 | 6.00 | 100.70 | 100.09 | 100.19 | 97.92 | 99.78 | 100.16 | 100.23 | 100.64 | 97.93 | 99.54 | 99.02 | 100.81 |
7.00 | 24.00 | 4.00 | 0.60 | 12.00 | 6.00 | 101.34 | 99.91 | 101.75 | 98.87 | 99.72 | 99.76 | 101.87 | 100.41 | 101.44 | 101.56 | 100.91 | 101.08 |
6.00 | 24.00 | 5.00 | 0.40 | 10.00 | 2.00 | 100.64 | 103.61 | 101.04 | 98.73 | 97.99 | 98.33 | 101.71 | 100.49 | 102.19 | 98.83 | 98.47 | 99.91 |
8.00 | 24.00 | 1.00 | 0.70 | 4.00 | 4.00 | 100.56 | 99.87 | 103.27 | 99.00 | 100.09 | 99.62 | 98.70 | 99.50 | 97.17 | 103.01 | 98.733 | 99.16 |
4.00 | 22.00 | 1.00 | 0.60 | 10.00 | 5.00 | 98.01 | 97.26 | 101.27 | 100.88 | 100.02 | 97.23 | 99.61 | 101.04 | 99.82 | 97.78 | 97.73 | 102.23 |
7.00 | 18.00 | 1.00 | 0.50 | 8.00 | 2.00 | 99.96 | 99.86 | 98.10 | 102.62 | 100.05 | 100.44 | 99.28 | 98.91 | 98.77 | 102.76 | 101.66 | 101.02 |
Mean (%) | 100.18 | 100.06 | 100.51 | 99.46 | 99.73 | 99.62 | 99.68 | 100.42 | 99.57 | 100.58 | 99.29 | 100.52 | |||||
RSD (%) | 0.98 | 1.71 | 1.64 | 1.53 | 0.75 | 1.38 | 1.51 | 0.96 | 1.80 | 1.95 | 1.32 | 1.14 | |||||