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Non-destructive Quantitative Analysis of Isoniazid Tablets by Near Infrared Spectroscopy with Radial Basis Function Neural Network

Teng Li-rong

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Abstract

A quantitative analysis model for the prediction of isoniazid content in the prediction set sample was set up.It was based on the combination of the data obtained from the isoniazid powder by near infrared diffuse reflectance spectrometry and the partial least square(PLS) and radial basis function neural network(RBFNN),respectively.The results showed that the model based on RBFNN was superior to that based on PLS model.The correlation coefficient was improved from 0.995 93 to 0.997 34,the root mean squares error of leave-one-cross-validation(RMSECV) was reduced from 0.005 23 to 0.004 23 and the root mean square error of prediction set(RMSEP) was reduced from 0.006 14 to 0.005 01.The relative deviation of the prediction results of isoniazid using the RBFNN model and the actual values was less than 1.012%.

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What this paper is about

A quantitative analysis model for the prediction of isoniazid content in the prediction set sample was set up.It was based on the combination of the data obtained from the isoniazid powder by near infrared diffuse reflectance spectrometry and the partial least square(PLS) and radial basis function neural network(RBFNN),respectively.The results showed that the model based on RBFNN was superior to that based on PLS model.The correlation coefficient was improved from 0.995 93 to 0.997 34,the root mean squares error of leave-one-cross-validation(RMSECV) was reduced from 0.005 23 to 0.004 23 and the root mean square error of prediction set(RMSEP) was reduced from 0.006 14 to 0.005 01.The relative deviation of the prediction results of isoniazid using the RBFNN model and the actual values was less than 1.012%.

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Available abstract

A quantitative analysis model for the prediction of isoniazid content in the prediction set sample was set up.It was based on the combination of the data obtained from the isoniazid powder by near infrared diffuse reflectance spectrometry and the partial least square(PLS) and radial basis function neural network(RBFNN),respectively.The results showed that the model based on RBFNN was superior to that based on PLS model.The correlation coefficient was improved from 0.995 93 to 0.997 34,the root mean squares error of leave-one-cross-validation(RMSECV) was reduced from 0.005 23 to 0.004 23 and the root mean square error of prediction set(RMSEP) was reduced from 0.006 14 to 0.005 01.The relative deviation of the prediction results of isoniazid using the RBFNN model and the actual values was less than 1.012%.

Key concepts: Partial least squares regression, Mean squared error, Chemistry, Correlation coefficient, Isoniazid, Analytical Chemistry (journal), Near-infrared spectroscopy, Cross-validation

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