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PRELIMINARY ARTIFICIAL NEURAL NETWORK ANALYSIS OF SELDI MASS SPECTROMETRY DATA FOR THE CLASSIFICATION OF MELANOMA TISSUE

机译:黑色素组织分类的Seldi质谱光谱数据的人工神经网络初步分析

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Over recent years studies have shown an increasing application of bioinformatics tools, and in particular, artificial intelligence techniques such as artificial neural networks (ANNs) for biological problems. Proteomic techniques such as SELDI-MS (Surface Enhanced Laser Desorption/Ionization Mass Spectrometry) may be used to distinguish patterns derived from diseased tissue used to identify biomarkers representative of a certain pathological state. This paper describes research building upon studies by Ball et al. (2002) in identifying potential biomarkers using ANNs for the analysis of mass spectrometry data from melanoma tissue. This approach utilised ANNs to model for 72 melanoma tissue samples (36 stage 1 and 36 stage 4) to identify ions as potential biomarkers and any possible interactions between these. Preliminary results have shown that approximately 20,000 inputs can be screened to just 20 molecular ions which are capable of accurately predicting tumour grade. Using the additive approach described by Ball et al. (2002) individual molecular ions were used to predict tumour grade and model performance evaluated using a receiver operating characteristic (ROC) curve. The accuracy of the model with 1 ion was 58.3% with a sensitivity of 63.9% and specificity of 52.8%. With a 2 ion model, ANN performance increased to an accuracy of 70.8%, sensitivity of 66.7% and specificity of 75%. With a 3 and 4 ion model, the accuracy increased yet further to 77.8 and 83.3%, sensitivity to 72.2 and 77.8% and specificity of 83.3 and 88.9% respectively. Preliminary findings indicate the ANN approaches adopted allow optimisation and determination of the minimum number of ions (derived from SELDI-MS data) which can successfully predict tumour grade. This work continues so that these key ions may be determined in order to identify if they have an important role in tumour progression from low to high grade.
机译:近年来的研究表明,生物信息学工具的应用不断增加,尤其是人工智能技术,例如用于解决生物学问题的人工神经网络(ANN)。诸如SELDI-MS(表面增强激光解吸/电离质谱)之类的蛋白质组学技术可用于区分源自患病组织的模式,这些模式用于识别代表某种病理状态的生物标志物。本文描述了以Ball等人的研究为基础的研究。 (2002年)使用ANN识别潜在的生物标志物,以分析来自黑素瘤组织的质谱数据。该方法利用人工神经网络对72个黑色素瘤组织样本(36个1期和36个4期)进行建模,以识别作为潜在生物标记的离子以及这些离子之间的可能相互作用。初步结果表明,大约20,000个输入可以筛选出仅20个分子离子,这些离子能够准确预测肿瘤的分级。使用Ball等人描述的加性方法。 (2002年)使用单个分子离子来预测肿瘤等级,并使用接收器操作特征(ROC)曲线评估模型性能。 1个离子模型的准确度为58.3%,灵敏度为63.9%,特异性为52.8%。使用2离子模型,人工神经网络的性能提高到70.8%的准确性,66.7%的灵敏度和75%的特异性。使用3和4离子模型,准确度进一步提高到77.8和83.3%,灵敏度分别提高到72.2和77.8%和特异度分别为83.3和88.9%。初步发现表明,采用的ANN方法可以优化和确定最小离子数(来自SELDI-MS数据),从而可以成功预测肿瘤的等级。这项工作将继续进行,以便确定这些关键离子,以鉴定它们是否在从低级到高级的肿瘤进展中具有重要作用。

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