Chromatogram Peak Assignment via Pattern Matching
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Solution Overview
Problem
Existing methods for evaluating the quality of multicomponent drugs, such as kampo medicines, are limited in accuracy due to difficulties in efficiently associating multiple peaks in chromatogram data, leading to incomplete evaluation of the drug's quality.
Innovation Solution
A peak assigning method and device that compare peak patterns between a target pattern and a reference pattern, using peaks on either side of each peak in the time axis direction, to accurately assign peaks and improve evaluation efficiency and accuracy.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If peak association is performed using conventional methods, then evaluation coverage is limited to specific components, but measurement precision and evaluation accuracy deteriorate because only some components are evaluated
Solution Approach 1:
The patent segments the peak association task into multiple hierarchical levels: first associating peaks within individual chromatograms, then associating corresponding peaks across multiple chromatograms using reference peak patterns. This segmentation allows comprehensive evaluation of all components while managing complexity through structured processing steps.
Solution Approach 2:
The patent introduces a new dimension of evaluation by comparing peak patterns across the entire chromatogram profile rather than evaluating isolated peaks or specific components. This dimensional shift from point-based to pattern-based evaluation enables comprehensive quality assessment while systematically managing association complexity.
2Measurement precision
If all peaks are associated between multicomponent drugs, then evaluation coverage improves, but productivity deteriorates due to the large number of peaks requiring association
Solution Approach 1:
The patent performs preliminary peak association within each individual chromatogram before performing cross-chromatogram association. This preliminary organization of peak data structures and identification of corresponding peaks significantly reduces the computational burden of subsequent comprehensive association, enabling efficient processing of all peaks across multiple samples.
Solution Approach 2:
The patent creates reference peak patterns from representative chromatograms and uses these patterns as templates for associating peaks in other chromatograms. This copying approach eliminates the need for exhaustive pairwise comparison of all peaks, dramatically improving evaluation efficiency while maintaining comprehensive coverage.
3Measurement precision
If peak association accounts for inter-drug errors and analysis errors, then measurement precision improves, but device complexity increases due to error compensation requirements
Solution Approach 1:
The patent incorporates error tolerance mechanisms into the peak association algorithm from the beginning. By designing the association criteria to account for expected variations due to inter-drug differences and analysis errors, the system achieves high accuracy without requiring complex post-processing error compensation procedures.
Data Source
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AI summary
A peak assigning apparatus 1 for assigning peaks of a FP configured by peaks and retention time points of the peaks detected from a chromatogram of a multicomponent material, capable of contributing to improvement of the accuracy and efficiency of evaluation of an evaluation target, includes a peak pattern preparing part 7 preparing a peak pattern for each peak of the target FP and a reference FP that comprises n+1 peaks including n peaks being present on at least one of sides located in front and in the rear of each peak in a time axis direction, and a peak assigning part 9 specifying the peaks corresponding to each other by comparison of the peak patterns.