Table 2: Different applications of chemometric techniques in pharmaceutical sciences.

S. no.Research envisagedInstrumental techniqueChemometric analysisReference

(1)High-throughput NIR-chemometric method for meloxicam assay from powder blends for tabletingNIR spectroscopyPrincipal component regression (PCR) and partial least squares (PLS) regression[38]
(2)Self-modeling curve resolution (SMCR) analysis of nearinfrared (NIR) imaging data of pharmaceutical tabletsNIRSelf-modelling curve resolution (SMCR) analysis[39]
(3)Measurement of soluble solids contents and pH in orange juice using chemometrics and Vis/NIRSVisible and near infrared reflectance spectroscopyPartial least squares[40]
(4)Formulation and evaluation of protein-loaded solid dispersions by nondestructive methodsPowder
X-ray diffraction (PXRD), near infrared chemical imaging (NIR-CI)
Principal component analysis and partial least square regression[43]
(5)Water content determination of super disintegrants by means of ATR-FTIR spectroscopy.ATR-FTIR spectroscopySimple linear regression[56]
(6)Chemometric determination of naproxen sodium and pseudoephedrine hydrochloride in tablets by HPLC.HPLC Classical least squares (CLS), principle component regression (PCR), and partial least squares (PLS)[46]
(7)Simultaneous determination of ambroxol hydrochloride and guaifenesin by HPLC, TLC-spectrodensitometric, and multivariate calibration methods in pure form and in cough cold formulationsHPLC, TLC-spectrodensitometricMultivariate calibration methods[47]
(8)Quantification of meloxicam & excipients on intact tablets by near infrared spectrometry and chemometricsNearinfrared Spectroscopy, HPLCPartial leastsquares (PLS) and principal component regression (PCR) methods[48]
(9)Determination of flow properties of pharmaceutical powders by near infrared spectroscopy NIR spectroscopyPartial least square[53]
(10)Accurate determination of polyethylene pellet density using transmission Raman spectroscopyTransmission Raman SpectroscopyPrincipal component analysis[54]
(11)Chemometric evaluation of pharmaceutical properties of antipyrine granules by nearinfrared spectroscopyNearinfrared SpectroscopyPrincipal component regression (PCR) analysis[55]
(12)Investigation of preparation parameters to improve the dissolution of poorly water-soluble meloxicamX-ray powder diffractionSelf-modelling
curve resolution method
(13)Theoretical analysis of tablet hardness prediction usingchemoinformetricnearinfrared spectroscopyNearinfrared SpectroscopyPrincipal component regression (PCR) analysis[58]
(14)Prediction of tablet properties based on near infrared
spectra of raw mixed powders by chemometrics: scale-up factor of blending and tableting processes
Nearinfrared SpectroscopyPrincipal component regression (PCR) method[59]
(15)Predicting the drug concentration in starch acetate matrix tablets from ATR-FTIR spectra using multiway methodsATR-FTIRParallel factor analysis (PARAFAC) and multilinear partial least squares (N-PLS)[60]
(16)An efficient method development strategy for the quantitative chemical imaging using terahertz pulse spectroscopyTerahertz pulse spectroscopyPartial least square type 2 regression[61]
(17)Fluorescence spectroscopic determination of
triglyceride in human serum with window genetic algorithm partial least squares
Fluorescence spectroscopyNonlinear partial least squares (NLPLS); window
genetic algorithms partial least squares (WGAPLS)