Apparatus and method for generating molecular structure
US11450410B2 · kind B2 · utility
Assignee
Inventors
Key dates
| Filing date | May 3, 2019 |
| Grant date | Sep 20, 2022 |
| Priority date | — |
| Expiry date | Sep 24, 2040 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16C60/00
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
A method of generating a molecular structure includes generating, based on a predetermined number of a plurality of nodes, all possible two-dimensional (2D) graphs and a plurality of edges representing connections between the plurality of nodes and, for each 2D graph from among the generated 2D graphs, generating all possible molecular structures based on the 2D graph by substituting each of the plurality of nodes with a polygonal ring structure including carbon atoms and substituting the edges with bonds between polygonal ring structures. Also, a method includes substituting at least one of carbon atoms included in the polygonal ring structures with an atom other than a carbon atom.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.