Abstract：
:The principles of multivariate calibration (MC) are presented, with reference to the main objectives of this chellometrics technique: the reduction of the variance in the prediction of a response variable (generally, a chemical quantity) and the possibility of the determination of the response in complex matrices with no or limited sample preparation, as in the case of the determination of a drug in a medicament. In both cases MC uses the whole information in a spectrum (a series of predictors). The possibility of the improvement of the MC performances, eliminating some useless, noisy, predictors is shown. Variable selection has been performed using two original techniques: a stepwise elimination procedure, based on the normalised coefficients of the regression equation relating the response to the predictors and a technique based on iterative repetitions of the regression technique (partial least squares regression, PLS), each time by weighting the predictors by their normalised regression coefficient computed in the previous cycle. These strategies are illustrated by means of different data sets, a synthetic example and a real example where MC, applied to near infrared spectroscopy, is used in the analysis of a drug. In this case also the application of an original MC technique is shown, where a joint regression model is obtained for two different instruments.
journal_name
J Pharm Biomed Analjournal_title
Journal of pharmaceutical and biomedical analysisauthors
Forina M,Casolino MC,de la Pezuela Martinez Cdoi
10.1016/s0731-7085(98)00153-8subject
Has Abstractpub_date
1998-10-01 00:00:00pages
21-33issue
1-2eissn
0731-7085issn
1873-264Xpii
S0731-7085(98)00153-8journal_volume
18pub_type
杂志文章,评审abstract：:The interaction of epicatechin with bovine serum albumin (BSA) was studied by isothermal titration calorimetry. The binding constant (K) and associated thermodynamic binding parameters (n, DeltaH) were determined for the interaction at three solution concentrations of BSA using a binding model assuming independent bin...
journal_title：Journal of pharmaceutical and biomedical analysis
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journal_title：Journal of pharmaceutical and biomedical analysis
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journal_title：Journal of pharmaceutical and biomedical analysis
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journal_title：Journal of pharmaceutical and biomedical analysis
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章,评审
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journal_title：Journal of pharmaceutical and biomedical analysis
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journal_title：Journal of pharmaceutical and biomedical analysis
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journal_title：Journal of pharmaceutical and biomedical analysis
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journal_title：Journal of pharmaceutical and biomedical analysis
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journal_title：Journal of pharmaceutical and biomedical analysis
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journal_title：Journal of pharmaceutical and biomedical analysis
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journal_title：Journal of pharmaceutical and biomedical analysis
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journal_title：Journal of pharmaceutical and biomedical analysis
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
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