Proteomics software package for the detection of cancer

描述（由申请人提供）：这个SBIR项目提出开发一个包含生物计算工具的软件包，以促进通过质谱（MS）获得的蛋白质组学数据分类来准确诊断癌症。该软件将接受从各种仪器产生的质谱数据，但特别针对MALDI/SELDI TOF分析（应用生物系统公司，Ciphergen）。I期工作将侧重于探索各种现有和改进的统计方法的适用性，用于信号调理（维纳滤波器）和分类（线性判别分析、主成分分析、支持向量机、贝叶斯方法），这些数据来自儿童霍奇金病和急性髓性白血病患者的血清分析。执行此任务的软件包目前不存在；因此，本研究具有显著的技术创新潜力。交叉验证将用于获得对分类器性能的无偏估计。ARC （W&M）的TRIFT II设备将用于提供高分辨率MS TOF SIMS数据，以校准EVMS的SELDI设备。第二阶段项目将利用第一阶段开发的研究和概念验证工具来生产一个商业软件包，该软件包将授权给研究人员和设备制造商，以便将其包含在他们的仪器中。

DESCRIPTION (provided by applicant): This SBIR project proposes the development of a software package containing bio-computational tools to facilitate accurate diagnosis of cancer based on classification of proteomics data obtained through mass spectrometry (MS). The software will accept MS data produced from a wide range of instruments but is specifically targeted toward MALDI/SELDI TOF analysis (Applied Biosystems, Ciphergen). The Phase I work will focus on exploring the applicability of various existing and modified statistical approaches for signal conditioning (Wiener filters) and classification (linear discriminant analysis, principal components analysis, support vector machines, Bayes method) of SELDI data derived from analysis of sera from individuals with pediatric Hodgkin's disease and acute myeloid leukemia. A software package to perform this task does not currently exist; therefore, the proposed research has significant potential for technical innovation. Cross-validation will be used to obtain an unbiased estimate of the performances of the classifiers. The TRIFT II equipment at the ARC (W&M) will be used to provide high-resolution MS TOF SIMS data to calibrate the SELDI equipment at EVMS. The Phase II project will leverage the research and proof-of-concept tools developed in Phase I to produce a commercial software package that will be licensed to researchers, as well as equipment manufacturers for inclusion with their instruments.