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| 模拟退火神经网络用于药物液相色谱梯度分离条件的优化 | |
| 引用本文： | 陈昌云,李小华,尚尔鑫,相秉仁.模拟退火神经网络用于药物液相色谱梯度分离条件的优化[J].理化检验(化学分册),2005,41(11):809-811. |
| 作者姓名： | 陈昌云 李小华 尚尔鑫 相秉仁 |
| 作者单位： | 1. 南京晓庄学院,化学系,南京,210017;中国药科大学,分析测试中心,南京,210009 2. 南京晓庄学院,化学系,南京,210017 3. 中国药科大学,分析测试中心,南京,210009 |
| 摘 要： | 模拟退火神经网络用于药物液相色谱梯度分离条件的优化。使用均匀设计法以乙腈在线性梯度展开时的初始浓度和线性梯度的斜率为优化参数，对六种药物混合体系进行优化。采用退火神经网络方法建立了有效的分离条件预测模型。对神经网络模型所预测的最佳分离条件进行试验，分离结果满意。模拟退火神经网络可有效地用于药物液相色谱分离条件的优化。 |
| 关 键 词： | 模拟退火算法 人工神经网络 高效液相色谱 梯度分离条件优化 |
| 文章编号： | 1001-4020（2005）11-0809-03 |
| 收稿时间： | 2004-08-09 |
| 修稿时间： | 2004年8月9日 |
APPLICATION OF SIMULATED ANNEALING NEURAL NETWORK TO THE OPTIMIZATION OF HPLC GRADIENT SEPARATION OF DRUGS |
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| CHEN Chang-yun,LI Xiao-hua,SHANG Er-xin,XIANG Bing-ren.APPLICATION OF SIMULATED ANNEALING NEURAL NETWORK TO THE OPTIMIZATION OF HPLC GRADIENT SEPARATION OF DRUGS[J].Physical Testing and Chemical Analysis Part B:Chemical Analgsis,2005,41(11):809-811. | |
| Authors: | CHEN Chang-yun LI Xiao-hua SHANG Er-xin XIANG Bing-ren |
| Institution: | 1. Department of Chemistry, Nanjing Xiaozhuang College, Nanjing 210017, China; Center for Analysis and Testing, China Pharmaceutical University, Nanjing 210009, China |
| Abstract: | The simulated annealing neural networks(SANN) applied to the high performance liquid chromatography(HPLC) gradient separation of drugs were described in this paper.A prediction SANN model was established on the basis of a uniform design,and the parameters of starting concentration and the slope of CH_3CN in linear gradient developing for separation of 6 kinds of drug in mixture were optimized.Using the optimized parameters predicted by the proposed SANN model,satisfactory separation effect was obtained experimentally,and the use of the SANN model in optimization of HPLC conditions for efficient separation of drugs was verified. |
| Keywords: | Simulated annealing algorithm Artificial neural network High performance liquid chromatography Optimization of gradient separation conditions |
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