http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-7957916-B2
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_173bc2c63b34988699010ba05e5b1376 |
| classificationCPCAdditional | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-70 |
| classificationCPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-20 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G01N31-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F17-10 |
| filingDate | 2010-01-28-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| grantDate | 2011-06-07-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_9263be45fe6bb2c0bcc60b93896338f1 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_06f66068432f60a145e11bdd874a5f1a |
| publicationDate | 2011-06-07-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | US-7957916-B2 |
| titleOfInvention | Methods, systems, and computer program products for producing theoretical mass spectral fragmentation patterns of chemical structures |
| abstract | Methods, systems, and computer program products for generating theoretical mass spectral fragmentation patterns of a chemical structure is provided. The method includes obtaining a description of a chemical structure and generating, from the description, a list of chemical structure information. A binary tree data structure is used to organize the list of chemical structure information. The binary tree data structure may be fragmented by determining, based on a set of predetermined rules, a fragmentation point between two nodes in the binary tree data structure thereby dividing the binary tree data structure into a fragment and a complement. The molecular formula and molecular weight of each fragment is determined. The binary tree data structure is traversed and appropriate fragmentation rules are applied to produce a plurality of theoretical molecular fragments. |
| isCitedBy | http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-8583659-B1 |
| priorityDate | 2005-04-22-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
Total number of triples: 30.