CJCU

Chem. J. Chinese Universities ›› 2004, Vol. 25 ›› Issue (7): 1251.

• Articles • Previous Articles     Next Articles

Quality Control of the Powder Pharmaceutical Samples of Metronidazole Based on Near Infrared Reflectance Spectra with Temperature-constrained Cascade Correlation Neural Networks

CUI Xiu-Jun1, ZHANG Zhuo-Yong2, Peter de B Harrington3, REN Yu-Lin4   

  1. 1. Faculty of Chemistry, Northeast Normal University, Changchun 130024, China;
    2. Department of Chemistry, MOE Key Lab for 3-D Information Acquisition and Applications, Capital Normal University, Beijing 100037, China;
    3. Department of Chemistry and Biochemistry, Ohio University, Athens 45701-2979, USA;
    4. College of Chemistry, Jilin University, Changchun 130023, China
  • Received:2003-08-26 Online:2004-07-24 Published:2004-07-24

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Abstract: Temperature-constrained cascade correlation networks(TCCCNs) were applied to the identification of the powder pharmaceutical samples of metronidazole based on near infrared(NIR) diffuse reflectance spectra. This work focused on the comparison of performances of the uni-output TCCCN(Uni-TCCCN) to multi-output TCCCN(Multi-TCCCN) by using near infrared diffuse reflectance spectra of metronidazole. The TCCCN models were verified with independent prediction samples by using the "cross-validation" method. The networks were used to discriminate qualified, un-qualified and counterfeit metronidazole pharmaceutical powders. The results showed that multiple outputs network generally worked better than the single output networks. With proper network parameters the pharmaceutical powders can be classified at a rate of 100% in this work. Also, the effects of neural network parameters including number of candidate nodes, type of transfer functions(linear, sigmoid functions and temperature-constrained sigmoid function, respectively) on classification were discussed.

Key words: Temperature-constrained cascade correlation networks, Near infrared reflectance spectrum, Classification, Metronidazole

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