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Journal of Chemometrics, ISSN 0886-9383, 08/2018, Volume 32, Issue 8, p. n/a
Here, the theory of the multi‐class partial least squares discriminant analysis (PLS‐DA) is presented. A distinct feature of this theory is that it does not... 
soft and hard classification | partial least squares discriminant analysis | PLS‐DA | multiclass discrimination | authenticity | PLS-DA | Discriminant analysis | Sensitivity analysis | Computer simulation | Least squares | Principal components analysis | Quality assessment | Chemometrics
Journal Article
Journal of Chemometrics, ISSN 0886-9383, 08/2018, Volume 32, Issue 8, p. e3030
Journal Article
Journal of Chemometrics, ISSN 0886-9383, 06/2014, Volume 28, Issue 6, p. 518
  A novel method for theoretical calculation of the type II (β) error in soft independent modeling by class analogy is proposed. It can be used to compare... 
Quality control | Raw materials | Pharmaceutical industry | Validation studies
Journal Article
Journal of Chemometrics, ISSN 0886-9383, 06/2014, Volume 28, Issue 6, pp. 518 - 518
A novel method for theoretical calculation of the type II ( beta ) error in soft independent modeling by class analogy is proposed. It can be used to compare... 
Errors | Analogies | Classification | Mathematical models | Raw materials | Computational efficiency | Computing time | Chemometrics
Journal Article
Journal of Chemometrics, ISSN 0886-9383, 05/2014, Volume 28, Issue 5, p. 429
  For the construction of a reliable decision area in the soft independent modeling by class analogy (SIMCA) method, it is necessary to analyze calibration... 
Analytical chemistry | Statistical analysis | Principal components analysis
Journal Article
Journal of Chemometrics, ISSN 0886-9383, 05/2014, Volume 28, Issue 5, pp. 429 - 429
For the construction of a reliable decision area in the soft independent modeling by class analogy (SIMCA) method, it is necessary to analyze calibration data... 
Construction | Degrees of freedom | Tools | Calibration | Assessments | Decision analysis | Chemometrics | Principal component analysis
Journal Article
Journal of Chemometrics, ISSN 0886-9383, 10/2014, Volume 28, Issue 10, p. 740
  Bilinearity is the basic principle of multivariate curve resolution. In this paper, we consider a case when this premise is violated. We demonstrate that the... 
Accuracy | Calibration | Multivariate analysis
Journal Article
Journal Article
ISSN 1759-9660, 12/2015, Volume 8, Issue 2, pp. 435 - 444
It is shown that the recently proposed Non-Linear Multivariate Curve Resolution (NL-MCR) method can be effectively employed to develop an accurate calibration... 
Journal Article
Journal of Chemometrics, ISSN 0886-9383, 06/2012, Volume 26, Issue 6, p. 299
  The role of chemometrics in process analytical technology (PAT) solutions development is presented in the review on the basis of publications from 1993 to... 
Analytical chemistry | Biotechnology | Aqueous solutions | Pharmaceutical industry | Food processing industry
Journal Article
Journal of Chemometrics, ISSN 0886-9383, 06/2012, Volume 26, Issue 6, pp. 299 - 310
Journal Article
Chemometrics and Intelligent Laboratory Systems, ISSN 0169-7439, 12/2016, Volume 159, pp. 89 - 96
Journal Article
Chemometrics and Intelligent Laboratory Systems, ISSN 0169-7439, 08/2010, Volume 103, Issue 1, pp. 19 - 24
This paper presents a critical review on "Comprehensive chemometrics. Chemical and biochemical data analysis", Steven D. Brown, Romà Tauler, Beata Walczak... 
Science metrics | State of the art | Comprehensive chemometrics | CHEMISTRY, ANALYTICAL | INSTRUMENTS & INSTRUMENTATION | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | STATISTICS & PROBABILITY | AUTOMATION & CONTROL SYSTEMS | COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE
Journal Article
Trends in Analytical Chemistry, ISSN 0165-9936, 04/2016, Volume 78, pp. 17 - 22
Authentication is the process of determining whether an object is, in fact, what it is declared to be. In practice, this problem is often solved by using... 
PLS-DA | Class modeling | One-class classifier | DD-SIMCA | Authentication | CHEMISTRY, ANALYTICAL | PERFORMANCE | SIMCA | QUANTIFICATION | VALIDATION | CLASSIFICATION | ADULTERATION | CHEMOMETRICS | SPECTROSCOPY | OLIVE OIL | PARTIAL LEAST-SQUARES
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2/2017, Volume 19, Issue 5, pp. 366 - 3615
A novel non-linear regression method for modeling non-isothermal thermogravimetric data is proposed. Experiments for several heating rates are analyzed... 
THERMAL-DEGRADATION | POLYMERS | MIXTURE MODEL | STABILITY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | POLYCARBONATE | ARRHENIUS | REACTION-RATE CONSTANTS | PARAMETERS | MULTIVARIATE NONLINEAR-REGRESSION | PREDICTION | Computer simulation | Heating rate | Reaction kinetics | Physical chemistry | Regression | Nonlinearity | Mathematical models | Modelling
Journal Article
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