Complex molecule substructure identification systems, apparatuses and methods
US11854664B2 · kind B2 · utility
Assignee
Inventors
Key dates
| Filing date | Jun 11, 2019 |
| Grant date | Dec 26, 2023 |
| Priority date | — |
| Expiry date | Dec 13, 2040 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16B50/00
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
Embodiments of the present invention provide a computer-implemented system and method for generating and searching a database containing all of the potential substructures (e.g., metabolites) of a chosen complex molecule based on minimum cleavable units (MCUs) of the chosen complex molecule, wherein each record in the generated database suitably defines the molecular weight and physical arrangement of each substructure. Embodiments of the invention also provide a user interface and a search engine for searching the database based on a query molecular weight (or query molecular weight range) to identify all of the substructures having a total molecular weight matching the query molecular weight or range. Embodiments of the invention are also capable of transmitting to a display device operated by an end user a description and/or a graphical representation of every identified substructure of the chosen complex molecule.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.