Real-time identification and analysis of chemical mixtures
AssigneeNovateur Research Solutions
InventorsJonah Zachary Procyk, Khurram Hassan-Shafique, Zeeshan Rasheed
Life of this patent
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Abstract
A system and method for identifying chemical components in a sample includes a spectral measurement device configured to obtain spectral data from the sample; a processor; and a memory storing instructions that, when executed by the processor, cause the system to: separate components within a mixture using mixture deconvolution; identify a complete chemical structure from multiple spectral sources via chemical structure encoding and decoding; classify functional groups of unknown chemical agents; and search a chemical database to identify similar chemicals based on structural and functional similarity.
Claims20
A system for identifying chemical components in a sample, the system comprising:
- a spectral measurement device configured to obtain spectral data from the sample;
- a processor;
- and
- a memory storing instructions that, when executed by the processor, cause the system to:
- separate components within a mixture using mixture deconvolution;
- identify a complete chemical structure from multiple spectral sources via chemical structure encoding and decoding;
- classify functional groups of unknown chemical agents;
- and
- search a chemical database to identify similar chemicals based on structural and functional similarity.
A method for identifying chemical components in a sample, the method comprising:
- obtaining spectral data from the sample using at least one spectral measurement device;
- separating components within a mixture in the sample using mixture deconvolution;
- identifying a complete chemical structure from multiple spectral sources via chemical structure encoding and decoding;
- classifying functional groups of unknown chemical agents in the sample;
- and
- searching a chemical database to identify similar chemicals based on structural and functional similarity.
A non-transitory computer-readable storage medium storing computer-executable instructions that, when executed by a processor, cause the processor to perform the computer-executable instructions comprising:
- receiving spectral data from at least one spectral measurement device;
- separating components within a mixture in the sample using mixture deconvolution;
- identifying a complete chemical structure from multiple spectral sources via chemical structure encoding and decoding;
- classifying functional groups of unknown chemical agents in the sample;
- searching a chemical database to identify similar chemicals based on structural similarity;
- and
- searching the chemical database to identify similar chemicals based on functional group similarity.
Dependencies are inferred from the claim text.