Scientific paper ID 1348 : 2016/3

Detelin Vasilev, Martin Ivanov, Nikolai Tonchev

Chemometrics is defined as a modern scientific and applied discipline integrating and systematizing various mathematical models and formal techniques for experimental-data processing in problems of chemistry and its related sciences. It s methods of mathematical statistics, multidimensional data analysis, machine learning, artificial intelligence, etc. Since the chemometric approach has proven to be effective and expedient in revealing typical internal structural connections, it is applied in many other areas of research and even in such that seem to be too far away from the initial sources of the idea. Chemometrics offers expanded methods for data analysis and for optimization of laboratory research. In this sense it is a part of the development of the trend to create intelligent laboratory systems. The presented paper aims to justify the applicability of the chemometric approach to problems of material sciences and mechanics. The representation is accompanied by an illustrative example.

Моделиране на свойства хемометриката титанови сплави.Modeling properties chemometrics titanium alloys.Detelin Vasilev Martin Ivanov Nikolai Tonchev


[1] Matthias Otto, Chemometrics. Statistics and Computer Application in Analytical Chemistry, John Wiley & Sons, Apr 9, 2007.

[2] Tauler R., Beata Walczak, Steven Brown, Comprehensive Chemometrics, 1st Edition, Chemical and Biochemical Data Analysis, 2009.

[3] Richard G. Brereton, Applied Chemometrics for Scientists, Willey, 2007.

[4] Practical Guide To Chemometrics, Second Edition, edited by Paul Gemperline, CRC Press, Taylor& Francis Group, Elsevier Inc., 2006.

[5] Wehrens, Ron, Chemometrics with R, Multivariate Data Analysis in the Natural Sciences and Life Sciences, Springer, 2011.

[6] Wold Svante, Chemometrics, what do we mean with it, and what do we want from it?, Chemometrics and Intelligent Laboratory Systems 30 (1995) 109-115

[7] Wold Svante, Michael Sjöström, Lennart Eriksson, PLS-regression: a basic tool of chemometrics, Chemometrics and Intelligent Laboratory Systems, Volume 58, Issue 2, 28 October 2001, Pages 109–130








[15]Malinov, S., Sha, W., Software products for modeling and simulation in material science, Computational Material Science, vol.28, 2003, pp.179-198.




This site uses cookies as they are important to its work.

Accept all cookies
Cookies Policy