Searching of chemical structures
US12020781B1 · kind B1 · utility
Assignee
Inventor
Key dates
| Filing date | Aug 14, 2023 |
| Grant date | Jun 25, 2024 |
| Priority date | — |
| Expiry date | Aug 14, 2043 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16C60/00
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
Methods, systems, and apparatus, including computer programs encoded on computer storage media, for searching chemical structures. One of the methods includes receiving a fingerprint map for each chemical structure of a collection of chemical structures, generating an inverted index for the collection of chemical structures, receiving a request to search the inverted index for matching chemical structures, obtaining a query fingerprint for the query structure, computing a minimum number of bits and a maximum number of bits that must be present in respective fingerprints of candidate structures in the collection of chemical structures in order for a candidate structure to be considered a match for the query structure, and traversing the inverted index to identify candidate structures having fingerprints with a number of bits in between the minimum number of bits and the maximum number of bits.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.