| Predicate |
Object |
| assignee |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_8381805eba6d034fc77bd230dd02e6e2 |
| classificationCPCAdditional |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-80 |
| classificationCPCInventive |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-20
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-10
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-70
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-50 |
| classificationIPCInventive |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F19-00 |
| filingDate |
2018-09-12-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_bbde300a7fa22b98ba6ee560a44280d9
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_706f0b407ae2a5a17520f432a12b5b91
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_d2d263b44ba0b8ee81407e0eafb9b883
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_d49f16569778d5b52e400a8d8d7e9850
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_c6d23e7a1b36fb5d4b88cb2984813845 |
| publicationDate |
2019-03-21-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber |
WO-2019055499-A1 |
| titleOfInvention |
SYSTEMS AND METHODS FOR PREDICTING CHEMICAL REACTIONS |
| abstract |
The present invention relates to techniques for predicting a chemical reaction that comprises a set of input molecules. Techniques may include obtaining input molecule information identifying the set of input molecules and predicting at least one chemical reaction that comprises a transformation between the set of input molecules and a set of output molecules by modifying at least one reaction center of the set of input molecules. The prediction of said chemical reaction can be performed at least in part using the input molecule information and at least one statistical model concerning the properties of atoms outside a region of a molecule at the reactivity of the molecule. the molecule at the region to identify said reaction center. The techniques further include providing information indicating the set of output molecules. |
| isCitedBy |
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-112309509-A
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-11410752-B2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-115312135-A
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-113517033-A
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-115312135-B
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-112309509-B |
| priorityDate |
2017-09-12-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type |
http://data.epo.org/linked-data/def/patent/Publication |