Oligonucleotide retention time prediction method
An oligonucleotide and retention time technology, which can be used in biochemical equipment and methods, measuring devices, and microbial determination/inspection. big effect
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[0013] The following is a detailed description of the use of the method of the present invention for oligonucleotide chromatographic retention time prediction as an example, including the following steps:
[0014] a) Select 585 three-dimensional property parameters of 5 kinds of bases (A, C, G, T and U), including: Randic molecular profile parameters, geometric feature parameters, radial basis function descriptors (RDF) based on different atomic distances ), the descriptor obtained by the molecular structure characterization (MoRSE) based on the electric diffraction method, the descriptor of the weighted whole invariant molecule (WHIM) and the set of geometry, topology and atomic weight (GETAWAY) parameters;
[0015] Principal component analysis is used to process 585 kinds of property parameters, and 4 principal components are obtained, which accumulatively explain 99.68% of the variance of the original data matrix (5×585). The scores of the principal components are shown in T...
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