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Table 3 Determination of MLK and LCZ in the calibration and validation set of the suggested methods

From: Four chemometric models enhanced by Latin hypercube sampling design for quantification of anti-COVID drugs: sustainability profiling through multiple greenness, carbon footprint, blueness, and whiteness metrics

 

CLS

PCR

PLS

GA-PLS

MLK

LCZ

MLK

LCZ

MLK

LCZ

MLK

LCZ

Calibration set

Mean

99.27

99.76

100.07

99.43

99.84

99.63

99.76

100.04

SD

1.6282

1.506

1.606

1.595

1.3436

1.5149

1.0846

1.4768

%RSD

1.6402

1.5096

1.6049

1.6041

1.3458

1.5205

1.0872

1.4762

RMSEC(a)

0.1249

0.2592

0.2191

0.2023

0.2705

0.2904

0.0943

0.1926

Validation set

Mean

99.60

99.61

100.15

99.56

99.70

99.53

99.72

99.79

SD

1.1662

0.9201

1.2701

0.6832

1.3381

0.9161

1.0342

0.5252

%RSD

1.1709

0.9237

1.2682

0.6862

1.3421

0.9204

1.0371

0.5263

RMSEP(b)

0.2904

0.2583

0.2843

0.2342

0.2742

0.3442

0.1872

0.1779

  1. aRoot Mean Square Error of calibration
  2. bRoot Mean Square Error of predication