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温度限制串联相关网络-近红外光谱法用于药物甲硝唑的质量控制 被引量:2
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作者 崔秀君 张卓勇 +1 位作者 Peterde B Harrington 任玉林 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 2004年第7期1251-1253,共3页
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 ... 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. 展开更多
关键词 甲硝唑 质量控制 温度限制串联相关神经网络 近红外反射光谱法
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温度限制串联相关神经网络及其在细菌辨识中的应用 被引量:4
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作者 张卓勇 Aaron Urbas +2 位作者 Peter de B Harrington Kent J.Voorhees Jon Rees 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 2002年第4期570-572,共3页
蛋白质在微生物研究中可用作生物标记物, 故在生物技术中其表征工作很重要. 各种质谱技术已被用于细菌的表征[1~3]. 1994年, Cain等[4]首先报道了将色谱和基体辅助激光解离/电离飞行时间质谱(MALDI-TOF-MS)用于细菌的辨识. Holland等[5... 蛋白质在微生物研究中可用作生物标记物, 故在生物技术中其表征工作很重要. 各种质谱技术已被用于细菌的表征[1~3]. 1994年, Cain等[4]首先报道了将色谱和基体辅助激光解离/电离飞行时间质谱(MALDI-TOF-MS)用于细菌的辨识. Holland等[5]采用高质量离子MALDI-TOF-MS对细菌全细胞进行辨识. 最近, Lay[6]对该技术的细菌辨识做了综述. MALDI-TOF-MS是目前对细菌全细胞分析的最佳手段. 展开更多
关键词 细菌 MALDI 飞行时间质谱 TCCCN 人工神经网络 辨识 温度限制串联相关神经网络
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