System and method for identifying similar molecules
US8515684B2 · kind B2 · utility
3Cited by
1References
16Claims
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Key dates
| Filing date | Dec 21, 2011 |
| Grant date | Aug 20, 2013 |
| Priority date | — |
| Expiry date | Dec 21, 2031 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16C20/80
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
A vectorization process is employed in which chemical identifier strings are converted into respective vectors. These vectors may then be searched to identify molecules that are identical or similar to each other. The dimensions of the vector space can be defined by sequences of symbols that make up the chemical identifier strings. The International Chemical Identifier (InChI) string defined by the International Union of Pure and Applied Chemistry (IUPAC) is particularly well suited for these methods.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.