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Patterns Prediction of Chemotherapy Sensitivity in Cancer Cell lines Using FTIR Spectrum, Neural Network and Principal Components Analysis

机译:利用FTIR光谱,神经网络和主成分分析预测癌细胞系化学疗法敏感性的模式

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摘要

Drug resistance enables cancer cells to break away from cytotoxic effect of anticancer drugs. Identification of resistant phenotype is very important because it can lead to effective treatment plan. There is an interest in developing classifying models of resistance phenotype based on the multivariate data. We have investigated a vibrational spectroscopic approach in order to characterize a sensitive human ovarian cell line, A2780, and its cisplatin-resistant derivative, A2780-cp. In this study FTIR method have been evaluated via the use of principal components analysis (PCA), ANN (artificial neuronal network) and LDA (linear discriminate analysis). FTIR spectroscopy on these cells in the range of 400-4000 cm-1 showed alteration in the secondary structure of proteins and a CH stretching vibration. We have found that the ANN models correctly classified more than 95% of the cell lines, while the LDA models with the same data sets could classify 85% of cases. In the process of different ranges of spectra, the best classification of data set in the range of 1000-2000 cm-1 was done using ANN model, while the data set between 2500-3000 cm-1 was more correctly classified with the LDA model. PCA of the spectral data also provide a good separation for representing the variety of cell line spectra. Our work supports the promise of ANN analysis of FTIR spectrum as a supervised powerful approach and PCA as unsupervised modeling for the development of automated methods to determine the resistant phenotype of cancer classification.
机译:耐药性可使癌细胞摆脱抗癌药的细胞毒性作用。耐药表型的鉴定非常重要,因为它可以制定有效的治疗方案。基于多变量数据开发抗性表型的分类模型是令人感兴趣的。为了研究敏感的人类卵巢细胞系A2780及其抗顺铂衍生物A2780-cp,我们研究了振动光谱法。在这项研究中,已通过使用主成分分析(PCA),ANN(人工神经网络)和LDA(线性判别分析)对FTIR方法进行了评估。在400-4000 cm -1 范围内对这些细胞进行FTIR光谱分析表明,蛋白质的二级结构发生了变化,并发生了CH拉伸振动。我们发现,ANN模型正确地对95%以上的细胞系进行了分类,而具有相同数据集的LDA模型可以对85%的病例进行分类。在不同光谱范围的过程中,使用ANN模型对1000-2000 cm -1 范围内的数据集进行最佳分类,而在2500-3000 cm 之间的数据集进行最佳分类。 -1 使用LDA模型可以更正确地分类。光谱数据的PCA还可以很好地分离出各种细胞系光谱。我们的工作支持对FTIR光谱进行ANN分析作为一种有监督的有力方法,而将PCA作为无监督的模型作为开发自动方法来确定癌症分类的耐药表型的承诺。

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