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Química Nova

Print version ISSN 0100-4042On-line version ISSN 1678-7064


BRAGA, Jez Willian B.  and  POPPI, Ronei Jesus. Validation of models of multivariate calibration: an application in the determination of polymorphic purity of carbamazepine by near infrared spectroscopy. Quím. Nova [online]. 2004, vol.27, n.6, pp.1004-1011. ISSN 0100-4042.

The application of analytical procedures based on multivariate calibration models has been limited in several areas due to requirements of validation and certification of the model. Procedures for validation are presented based on the determination of figures of merit, such as precision (mean, repeatability, intermediate), accuracy, sensitivity, analytical sensitivity, selectivity, signal-to-noise ratio and confidence intervals for PLS models. An example is discussed of a model for polymorphic purity control of carbamazepine by NIR diffuse reflectance spectroscopy. The results show that multivariate calibration models can be validated to fulfill the requirements imposed by industry and standardization agencies.

Keywords : validation; multivariate calibration; carbamazepine.

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