Cage of covariance in calibration modeling: Regressing multiple and strongly correlated response variables onto a low rank subspace of explanatory variables

نویسندگان

چکیده

In analytical chemistry, multivariate calibration is applied when substituting a time-consuming reference measurement (based on e.g. chromatography) with high-throughput vibrational spectroscopy). An average error term, of the response variable, often used to evaluate performance model. However, indirect relationships, between and explanatory variables, may be for calibration. such cases, model validity cannot necessarily determined solely by term. One should also consider use models, as well relationships in future samples. If analyte interest partly quantified from signals interfering compounds, then these compounds will play hidden role This affect strong covariance estimates imposed. Hence, detect changes relationship compounds. The problem called cage covariance. paper discusses concept possible consequences applying models exposed this issue.

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ژورنال

عنوان ژورنال: Chemometrics and Intelligent Laboratory Systems

سال: 2021

ISSN: ['1873-3239', '0169-7439']

DOI: https://doi.org/10.1016/j.chemolab.2021.104311