• Corpus ID: 5324591

Applied Chemometrics: From Chemical Data to Relevant Information

@inproceedings{Varmuza2001AppliedCF,
  title={Applied Chemometrics: From Chemical Data to Relevant Information},
  author={Kurt Varmuza},
  year={2001}
}
The basic principles of multivariate data analysis in chemometrics are explained. The most used methods based on linear latent variables are discussed (principal component analysis, linear discriminant analysis) and demonstrated by examples from analytical chemistry and spectroscopy. 

Principal Component Analysis-Ranking as a Variable Selection Method for the Simulation of13C Nuclear Magnetic Resonance Spectra of Xanthones Using Artificial Neural Networks

A Quantitative Structure-Property Relationship (QSPR) relating atom-based calculated descriptors to 13 C NMR chemical shifts was developed to accurately simulate 13 C NMR spectra of polyhydroxy and

Classification of Andrographis paniculata extracts according to solvent extraction by HPLC fingerprint analysis and chemometrics

Objective: Andrographis paniculata, widely used as an antidiabetic in Indonesian traditional medicines (jamu), contains chemical compounds whose concentration is related to its therapeutic effects.

Classification of Andrographis paniculata extracts by HPLC fingerprint analysis and chemometrics

Objective: Andrographis paniculata is widely used in Indonesia traditional medicines called jamu as an antidiabetic. The concentration of some chemical compound will be related to the level of

Classification of Andrographis paniculata extracts by solvent extraction using HPLC fingerprint and chemometric analysis

Andrographis paniculata, widely used as an antidiabetic in Indonesian traditional medicines (jamu), contains chemical compounds whose concentration is related to its therapeutic effects. The

Visible/NIR on-line sensor for marine engine oil condition monitoring applying chemometric methods

Marine engine oils are used for years without an oil change. During this long period of time the oil gets contaminated, not only by water and fuel but also by solid contaminants due to oxidation of

Discrimination of cassava, taro, and wheat flour using near-infrared spectroscopy and chemometrics

There is a difference in the selling price for cassava, taro, and wheat flour, with taro flour having a higher price. It could be a reason for adulterating the taro flour from the other two flours

Effects of the May Day Mine Site on Stream-Water Quality in the Cement Creek Basin, August 2000

A tracer-injection study was done in the reach of Cement Creek that included Illinois Gulch and the May Day mine site. A lithium bromide tracer was used for the study; however, the tracer was not

MODEL OTENTIKASI KOMPOSISI OBAT BAHAN ALAM BERDASARKAN SPEKTRA INFRAMERAH DAN KOMPONEN UTAMA STUDI KASUS : OBAT BAHAN ALAM/FITOFARMAKA PENURUN TEKANAN DARAH

Komposisi kimia yang terkandung dalam ekstrak obat bahan alam merupakan suatu komposisi yang kompleks, dengan demikian pengujian keotentikannya tidak dapat dilakukan melalui pedekatan tunggal.  Salah

References

SHOWING 1-10 OF 27 REFERENCES

Chemometrics: A Practical Guide

The Six Habits of an Effective Chemometrician and its Applications: Pattern Recognition, Multivariate Calibration and Prediction.

Chemometrics in Analytical Spectroscopy

Descriptive statistics the acquisition and enhancement of data feature selection and extraction pattern recognition - unsupervised analysis pattern recognition - supervised learning calibration and

Chemometric Techniques For Quantitative Analysis

Basic approach creating some data classical least-squares inverse least-squares factor spaces principal component regression PCR in action partial least squares PLS in action appendix A - matrices

Mass Spectral Classifiers for Supporting Systematic Structure Elucidation

A set of mass spectral classifiers has been developed to recognize presence or absence of 70 substructures or more general structural properties in a molecule using numerical transformation of low resolution mass spectral data.

Handbook of Chemometrics and Qualimetrics

Introduction. Statistical Description of the Quality of Processes and Measurements. The Normal Distribution. An Introduction to Hypothesis Testing. Some Important Hypothesis Tests. Analysis of

Neural networks in chemistry and drug design

This new edition of a best-seller offers a sound introduction to artificial neuronal networks--with insights into their architecture, functioning, and applications.

Notes on the history and nature of partial least squares (PLS) modelling

The growing awareness of the need for non‐deterministic and distribution‐free (soft) models combined with an iterative algorithm for finding latent variables led to the construction of partial least