Chemometrics: achievements and prospects

Abstract

The key chemometric methods and models used to solve The key chemometric methods and models used to solve the problems of qualitative and quantitative analysis and for the problems of qualitative and quantitative analysis and for process analytical technology are considered. The achievements in process analytical technology are considered. The achievements in the field of chemometrics made in the last 20 years are surveyed. the field of chemometrics made in the last 20 years are surveyed. The trends and prospects for its development are discussed. The The trends and prospects for its development are discussed. The bibliography includes 228 references bibliography includes 228 references. .

Age-Related Changes in FTIR and Raman Spectra of Human Blood

“…These decompositions are performed under the condition of a maximal correlation between the X-score (t ) and Y-score (u ) vectors. Therefore, the PLS regression describes much better the complex relationships, by using a smaller number of principal components [60].…”

Age-Related Changes in FTIR and Raman Spectra of Human Blood

“…These decompositions are performed under the condition of a maximal correlation between the X-score (t ) and Y-score (u ) vectors. Therefore, the PLS regression describes much better the complex relationships, by using a smaller number of principal components [60].…”

Comprehensive Assessment of Biological Substrates of Professional Sick Person Group by Chemometric and Nuclear Physical Methods

“…The data are projected onto this axis, new residuals are calculated, and so on. This algorithm is called non-linear iterative projections by alternating least-squares (NIPALS) [19].…”

Evaluation of Pozzolanic Activity of Metakaolin Chemometric Method According to the UV-VIS-NIR Spectroscopy

“…The task of multidimensional calibration is to create a chemometric model linking the values of the matrix X and Y, which can be used to predict the values of Y by a new row of values X of the diffuse reflection coefficient (UV-VIS-NIR-spectra) [17]. The UV-VIS-NIR spectra of MK samples from the calibration and verification sets were analyzed and a scheme of a chemometric approach consisting of several steps was proposed:…”

Age-Related Changes in FTIR and Raman Spectra of Human Blood

“…These decompositions are performed under the condition of a maximal correlation between the X-score (t ) and Y-score (u ) vectors. Therefore, the PLS regression describes much better the complex relationships, by using a smaller number of principal components [60].…”

Comprehensive Assessment of Biological Substrates of Professional Sick Person Group by Chemometric and Nuclear Physical Methods

“…The data are projected onto this axis, new residuals are calculated, and so on. This algorithm is called non-linear iterative projections by alternating least-squares (NIPALS) [19].…”

Evaluation of Pozzolanic Activity of Metakaolin Chemometric Method According to the UV-VIS-NIR Spectroscopy

“…The task of multidimensional calibration is to create a chemometric model linking the values of the matrix X and Y, which can be used to predict the values of Y by a new row of values X of the diffuse reflection coefficient (UV-VIS-NIR-spectra) [17]. The UV-VIS-NIR spectra of MK samples from the calibration and verification sets were analyzed and a scheme of a chemometric approach consisting of several steps was proposed:…”

Age-Related Changes in FTIR and Raman Spectra of Human Blood

“…These decompositions are performed under the condition of a maximal correlation between the X-score (t ) and Y-score (u ) vectors. Therefore, the PLS regression describes much better the complex relationships, by using a smaller number of principal components [60].…”

Comprehensive Assessment of Biological Substrates of Professional Sick Person Group by Chemometric and Nuclear Physical Methods

“…The data are projected onto this axis, new residuals are calculated, and so on. This algorithm is called non-linear iterative projections by alternating least-squares (NIPALS) [19].…”

Evaluation of Pozzolanic Activity of Metakaolin Chemometric Method According to the UV-VIS-NIR Spectroscopy

“…The task of multidimensional calibration is to create a chemometric model linking the values of the matrix X and Y, which can be used to predict the values of Y by a new row of values X of the diffuse reflection coefficient (UV-VIS-NIR-spectra) [17]. The UV-VIS-NIR spectra of MK samples from the calibration and verification sets were analyzed and a scheme of a chemometric approach consisting of several steps was proposed:…”