发明授权
- 专利标题: Method for enhanced accuracy in predicting peptides using liquid separations or chromatography
- 专利标题(中): 使用液体分离或色谱法增强预测肽的准确性的方法
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申请号: US10323387申请日: 2002-12-18
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公开(公告)号: US07136759B2公开(公告)日: 2006-11-14
- 发明人: Lars J. Kangas , Kenneth J. Auberry , Gordon A. Anderson , Richard D. Smith
- 申请人: Lars J. Kangas , Kenneth J. Auberry , Gordon A. Anderson , Richard D. Smith
- 申请人地址: US WA Richland
- 专利权人: Battelle Memorial Institute
- 当前专利权人: Battelle Memorial Institute
- 当前专利权人地址: US WA Richland
- 代理商 Douglas E. McKinley, Jr.
- 主分类号: G06F17/11
- IPC分类号: G06F17/11 ; G06F17/50 ; G06F19/00
摘要:
A method for predicting the elution time of a peptide in chromatographic and electrophoretic separations by first providing a data set of known elution times of known peptides, then creating a plurality of vectors, each vector having a plurality of dimensions, and each dimension representing the elution time of amino acids present in each of these known peptides from the data set. The elution time of any protein is then be predicted by first creating a vector by assigning dimensional values for the elution time of amino acids of at least one hypothetical peptide and then calculating a predicted elution time for the vector by performing a multivariate regression of the dimensional values of the hypothetical peptide using the dimensional values of the known peptides. Preferably, the multivariate regression is accomplished by the use of an artificial neural network and the elution times are first normalized using a transfer function.
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