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Genetic Algorithms-Based Approach for Wavelength Selection in Spectrophotometric Determination of Vitamin B_(12) in Pharmaceutical Tablets by Partial Least-Squares

机译:基于遗传算法的基于分光光度法测定的基于波长选择的基于药物分光光度法测定药物片剂中的偏最小二乘法

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This study illustrated the genetic algorithms (GA) is useful tool in wavelength selection for the spectrophotometric determination of vitamin B_(12) in pharmaceutical tablets by partial least-squares calibration procedure (PLS). Because of interference in the spectra, a training set of the mixtures of vitamin B_(12) and tablet excipients was built to be used as calibration set for modeling. The absorption spectra of all solutions were recorded each 1 nm in the range 354-600 nm, using 0.1N hydrochloric acid as solvent. A validation set was employed to verify the models and a commercial sample was analysed. GA-PLS model leads to 86% improvement of predictive ability for vitamin B_(12), when comparing with full spectrum PLS model. It is concluded that only some variables in GA-PLS modeling are relevant for prediction and removing the non-relevant variables can improve the predictive capability.
机译:本研究说明了遗传算法(GA)是通过部分最小二乘校准程序(PLS)的用于分光光度法的波长选择的有用工具,用于分光光度法测定药物片中的维生素B_(12)。由于光谱干扰,维生素B_(12)和平板电脑赋形剂的混合物的训练集用作用于建模的校准集。使用0.1N盐酸作为溶剂,将所有溶液的吸收光谱记录在354-600nm的范围内。采用验证集来验证模型,分析商业样本。与全谱PLS模型相比,GA-PLS模型可提高维生素B_(12)的预测能力的提高。得出结论是,只有GA-PLS建模中的一些变量与预测和去除无相关变量相关,可以提高预测能力。

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