| Predicate |
Object |
| assignee |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_2a416a0a85c0bbf7993eaf1659ad8ea9 |
| classificationCPCAdditional |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/B01J2219-0072
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/B01J2219-00695
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/B01J2219-007
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-70
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/B01J2219-00689 |
| classificationCPCInventive |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/B01J19-0046
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-10
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-30 |
| classificationIPCInventive |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G05B21-00
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/B01J19-00
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F19-00 |
| filingDate |
2003-03-24-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_2e4c14bf27108cf263ee712ac9a28845
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_52d66dc4d50a18c2cd2f5a076a776997
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_33b5361a4adafc1a3aecb203a493d98d
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_3dd043bf1e706b130018a77497b0e84c
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_4a4821d8c8c535dfc22d6ec972bcb813 |
| publicationDate |
2003-10-02-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber |
CA-2478556-A1 |
| titleOfInvention |
Methods and systems for discovery of chemical compounds and their syntheses |
| abstract |
A preferred embodiment of the present invention comprises method for planning the synthesis of one or more chemical compounds with specified chemical properties, comprising the steps of: (a) representing a space of synthesis plans, wherein each synthesis plan in the space of synthesis plans represents one or more vitual reaction schemas applied to one or more classes of virtual input reactants; (b) representing a space of virtual compounds, wherein each compound in the space of virtual compounds is a product of one or more of said synthesis plans; (c) constructing a first mapping from the space of virtual compounds to range space representing the desirability of a compound, wherein the first mapping is determined by one or more compound properties being measured; and (d) searching the space of synthesis plans for desirable compounds as represented in the range space. |
| priorityDate |
2002-03-22-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type |
http://data.epo.org/linked-data/def/patent/Publication |