| Predicate |
Object |
| assignee |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_b8046ed87d21993ed388393f069b05af |
| classificationCPCAdditional |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-70 |
| classificationCPCInventive |
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/G16C20-10
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16C20-50 |
| filingDate |
2020-10-23-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_6daa803c766ab5a103c12f62156c4143
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_d7cd3a0bfd0323db6e04ea6623be5db3 |
| publicationDate |
2021-05-06-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber |
WO-2021084234-A1 |
| titleOfInvention |
Designing a molecule and determining a route to its synthesis |
| abstract |
A computer-implemented method of designing a molecule and determining a route to synthesise the molecule is provided. The method comprises: receiving one or more desired properties of the molecule; generating one or more candidate molecules using a first machine learning technique that uses the one or more desired properties of the molecule as an input; and for at least one candidate molecule, computing one or more routes to synthesise the candidate molecule using a second machine learning technique. |
| isCitedBy |
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-115206450-A
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-113409898-B
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-113409898-A
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-115206450-B |
| priorityDate |
2019-10-28-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type |
http://data.epo.org/linked-data/def/patent/Publication |