Compound Encoding Signatures for Real-Time Mass Analysis
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Solution Overview
Problem
Conventional mass analysis techniques, such as mass spectrometry, are inefficient and time-consuming for identifying compounds in complex samples due to the complexity and high-resolution nature of the analytical information, making real-time or near real-time analysis impossible.
Innovation Solution
Generating encoded representations of compounds using binary characters to represent properties like mass, charge, retention time, and drift time, allowing for the use of low-resolution instrumentation for efficient identification and quantification, and creating High-Entropy Digital Molecular Ion Signatures (HE-DMIS) for efficient data processing.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If conventional mass analysis techniques are used to identify compounds in complex samples, then identification accuracy is maintained through high-resolution data and complex library matching, but analysis time becomes excessively long and processing resources are overwhelmed
Solution Approach 1:
The patent segments the complex analytical information into multiple discrete features (m/z ratios, retention times, collision cross-sectional areas, etc.) and represents each feature as a separate symbol in an encoded string. This segmentation allows the system to process individual features independently rather than handling the entire complex dataset at once, enabling real-time analysis while maintaining identification accuracy through the preservation of all critical features.
Solution Approach 2:
The patent creates simplified encoded representations (copies) of the complex analytical data that retain the essential identifying features. These encoded strings serve as compact proxies for the full high-resolution data, allowing rapid comparison and matching operations. The encoded representations preserve the critical information needed for compound identification while requiring minimal processing resources.
2Reliability
If high-resolution mass spectrometry data is processed using conventional matching techniques, then compound identification reliability is maintained, but processing complexity and resource requirements become prohibitive for real-time analysis
Solution Approach 1:
The patent transforms the data representation parameters from continuous high-resolution values to discrete symbolic encodings. Each analytical feature (m/z, retention time, CCS area) is converted into discrete symbols based on predefined ranges or bins. This parameter transformation maintains the discriminatory power needed for reliable identification while dramatically simplifying the data structure and reducing processing complexity.
Solution Approach 2:
Instead of matching complex continuous datasets directly, the patent inverts the approach by first encoding the data into simplified symbolic representations and then performing matching operations on these encoded strings. This inversion of the processing sequence—encoding before matching—reduces computational complexity while preserving identification reliability through the careful design of the encoding scheme.
3Loss of information
If conventional mass analysis methods are applied to complex samples, then comprehensive compound characterization is achieved through detailed analytical information, but the time required for real-time or near real-time analysis becomes impossible
Solution Approach 1:
The patent extracts only the most critical and discriminatory features from the complete set of analytical information, representing them as key symbols in the encoded string. By selecting and extracting only the essential features (such as precursor m/z, product ion m/z patterns, retention time relationships, and CCS area ratios), the system maintains sufficient information for accurate compound characterization while enabling rapid processing that supports real-time analysis throughput.
Data Source
AI summary
Techniques and apparatus for generating encoded representations of compounds are described. In one embodiment, for example, an apparatus may include at least one memory, and logic coupled to the at least one memory. The logic may be configured receive analytical information associated with at least one compound, generate at least one encoded representation of the at least one compound, the encoded representation comprising at least one segment representing at least one property of the at least one compound using a plurality of symbols. Other embodiments are described.