Voisin Sébastien, Terreux Raphaël, Renaud François N R, Freney Jean, Domard Monique, Deruaz Daniel
Département de Chimie Analytique, EA 3090, ISPB 8, avenue Rockefeller, 69 373 Lyon 08, France.
Antonie Van Leeuwenhoek. 2004 May;85(4):287-96. doi: 10.1023/B:ANTO.0000020165.21866.67.
In the present study, an artificial neural network was trained with the Stuttgart Neural Networks Simulator, in order to identify Corynebacterium species by analyzing their pyrolysis patterns. An earlier study described the combination of pyrolysis, gas chromatography and atomic emission detection we used on whole cell bacteria. Carbon, sulfur and nitrogen were detected in the pyrolysis compounds. Pyrolysis patterns were obtained from 52 Corynebacterium strains belonging to 5 close species. These data were previously analyzed by Euclidean distances calculation followed by Unweighted Pair Group Method of Averages, a clustering method. With this early method, strains from 3 of the 5 species (C. xerosis, C. freneyi and C. amycolatum) were correctly characterized even if the 29 strains of C. amycolatum were grouped into 2 subgroups. Strains from the 2 remaining species (C. minutissimum and C. striatum) cannot be separated. To build an artificial neural network, able to discriminate the 5 previous species, the pyrolysis data of 42 selected strains were used as learning set and the 10 remaining strains as testing set. The chosen learning algorithm was Back-Propagation with Momentum. Parameters used to train a correct network are described here, and the results analyzed. The obtained artificial neural network has the following cone-shaped structure: 144 nodes in input, 25 and 9 nodes in 2 successive hidden layers, and then 5 outputs. It could classify all the strains in their species group. This network completes a chemotaxonomic method for Corynebacterium identification.
在本研究中,使用斯图加特神经网络模拟器训练了一个人工神经网络,以便通过分析棒状杆菌属细菌的热解模式来识别该属细菌。一项早期研究描述了我们用于全细胞细菌的热解、气相色谱和原子发射检测的组合方法。在热解化合物中检测到了碳、硫和氮。从属于5个近缘种的52株棒状杆菌菌株获得了热解模式。这些数据先前通过欧氏距离计算,然后采用非加权平均法(一种聚类方法)进行了分析。采用这种早期方法,即使将29株粉刺棒状杆菌菌株分为2个亚组,5个种中的3个种(干燥棒状杆菌、弗氏棒状杆菌和无枝菌酸棒状杆菌)的菌株也能被正确鉴定。其余2个种(极小棒状杆菌和纹带棒状杆菌)的菌株无法区分。为了构建一个能够区分上述5个种的人工神经网络,将42株选定菌株的热解数据用作学习集,其余10株用作测试集。选择的学习算法是带动量的反向传播算法。本文描述了用于训练正确网络的参数,并对结果进行了分析。所获得的人工神经网络具有以下锥形结构:输入层有144个节点,两个连续的隐藏层分别有25个和9个节点,然后是5个输出节点。它可以将所有菌株分类到各自的菌种组中。该网络完善了一种用于棒状杆菌鉴定的化学分类方法。