Page 73 - Veritas Vol 3, Issue 2
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as dimension, model accuracy, etc. PLSR (Partial Least Square Regression) is
also another notable method which is largely helpful in cases of differentiating
authentic and counterfeit products.
2.2 Experimental Design Techniques
The result of any chemometric method largely depends on the input data that
has been put in the beginning. Choosing the required parameters and analytical
data from large sample evidences with at most care is crucial for the final
output. Here comes the role of Experimental Design Techniques, offering
various tools and techniques such as sample preparation, sample storage,
parameters for instrumental analysis, etc. which helps in identifying, optimising
data and modelling factors that are involved in effective completion of the
process.
3. APPLICATION IN FORENSIC SCIENCE
Identifying impurities and contaminants in Drugs and Pharmaceuticals, one
of the most important fields of application.
Chemometrics combined with spectroscopy such as ATR-FTIR
spectroscopy.
Utilising chemometrics in acquiring more accurate results in analysing
seized rugs with techniques such as DR-NIR spectroscopy and PLSR.
Identifying source and quantifying cocaine samples.
Detecting counterfeit products, etc.
4. DRAWBACKS OF CHEMOMETRICS
It is quantitative in nature.
One cannot predict what is present.
Majorly used only for visualisation of data.
Subjectivity in data evaluation.
Uncertainty estimation.
Multicollinearity and Model Complexity, etc.
VERITAS VOLUME: 3, ISSUE: 2 WRITER: R V ISHITHA REDDY