Application of a genomic model for high‐dimensional chemometric analysis
8
Citation
30
Reference
10
Related Paper
Citation Trend
Abstract:
Abstract The rapid development of new technologies for large‐scale analysis of genetic variation in the genomes of individuals and populations has presented statistical geneticists with a grand challenge to develop efficient methods for identifying the small proportion of all identified genetic polymorphisms that have effects on traits of interest. To address such a “large p small n ” problem, we have developed a heteroscedastic effects model (HEM) that has been shown to be powerful in high‐throughput genetic analyses. Here, we describe how this whole‐genome model can also be utilized in chemometric analysis. As a proof of concept, we use HEM to predict analyte concentrations in silage using Fourier transform infrared spectroscopy signals. The results show that HEM often outperforms the classic methods and in addition to this presents a substantial computational advantage in the analyses of such high‐dimensional data. The results thus show the value of taking an interdisciplinary approach to chemometric analysis and indicate that large‐scale genomic models can be a promising new approach for chemometric analysis that deserve to be evaluated more by experts in the field. The software used for our analyses is freely available as an R package at http://cran.r‐project.org/web/packages/bigRR/ . Copyright © 2014 John Wiley & Sons, Ltd.Keywords:
Chemometrics
Genomic Selection
Cite
Abstract Chemometrics aims at extracting maximum information through the application of statistics and mathematics to problems of a chemical nature. Over the years, chemometrics has become an important chemical discipline with a significant impact in analytical chemistry, including the incorporation of significant improvements in design and selection of optimal experimental procedures, calibration of analytical instrumentation, and advanced methods for analysis of chemical data. The application of chemometrics methods to separation science, mainly chromatography and capillary electrophoresis, has followed the same increasing trend as in any other field of analytical chemistry. However, reviews on the application of chemometrics in separation science have been very scarce. Therefore, in this paper, the development of chemometrics in chromatography and capillary electrophoresis will be presented with a view of the current state of the‐art and with the prospects for the future. Keywords: ChemometricsChromatographyHPLCCapillary electrophoresisPrincipal component analysis
Chemometrics
Instrumentation
Cite
Citations (44)
Chemometrics
Cheminformatics
Cite
Citations (284)
Abstract Background The beginning of chemometrics within pattern recognition of the 1960s and 1970s is defined. This article shows a comprehensive deliberation on application of the chemometric techniques to chemical data analysis. Main body of the abstract Many review papers along with the usage of chemometrics in forensic chemistry have been available. The present article has been distributed into several parts which comprise chemometrics, its history, its function and chemometrics methods. Conclusion It is advised that these new chemometrics methods should be applied in forensic chemistry to get accurate and fast results.
Chemometrics
Forensic Toxicology
Cite
Citations (1)
Chemometrics
Cite
Citations (7)
A brief review of the past history of chemometrics is given,along with an assessment of the state of the field today.Some problems of chemometrics are identified and discussed.Suggestions are offered for improving the image and position of chemometrics.
Chemometrics
Cite
Citations (0)
When chemometrics began as a field, what is considered chemometrics and how chemometrics relates to neighboring fields all are issues that continue to impact the field today. This review discusses early efforts to create the new field of chemometrics and considers how these efforts continue to shape the field today. The review points out the need for change in some long‐established practices in chemometrics to keep the field strong in the face of rapid changes in data analysis and in chemical instrumentation.
Chemometrics
Instrumentation
Cite
Citations (9)
Chemometrics
Cite
Citations (13)
Chemometrics
Absorbance
Cite
Citations (1)
Chemometrics
Cite
Citations (327)
The application of chemometrics, a widely used science in food studies (and not only food studies) has begun to increase in importance with chemometrics being a very powerful tool in analyzing large numbers of results. In the case of honey, chemometrics is usually used for assessing honey authenticity and quality control, combined with well-established analytical methods. Research related to investigation of the quality changes in honey due to modifications after processing and storage is rare, with a visibly increasing tendency in the last decade (and concentrated on investigating novel methods to preserve the honey quality, such as ultrasound or high-pressure treatment). This review presents the evolution in the last few years in using chemometrics in analyzing honey quality during processing and storage. The advantages of using chemometrics in assessing honey quality during storage and processing are presented, together with the main characteristics of some well-known chemometric methods. Chemometrics prove to be a successful tool to differentiate honey samples based on changes of characteristics during storage and processing.
Chemometrics
Cite
Citations (20)