System and method for identifying similar molecules
US8140267B2 · kind B2 · utility
2Cited by
49References
30Claims
0Family size
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Key dates
| Filing date | Jun 30, 2006 |
| Grant date | Mar 20, 2012 |
| Priority date | — |
| Expiry date | Jan 19, 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.