| Predicate |
Object |
| assignee |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_c6cde3db04b64bb20f05c0ae84d83991
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_1edb3b43f09ed31be42290d9ba5e18ed
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_90d7e8777653cc431d89f9eb25bc6033
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_259522e27cba3e723934e421a6d5bd35
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_dc013343832e7cc5b00aed04961a0ccf |
| classificationCPCAdditional |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-30 |
| classificationCPCInventive |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-70 |
| classificationIPCInventive |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F19-00 |
| filingDate |
2000-02-18-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_1404ee7a11041dc4d9fd6c110753aea5
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_72d79a76512f0cf176642c4b67584d31
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_14c8a8e25da6ec3733496ad964214a1d
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_dd464ad9b30d88f9724121b647fff72d |
| publicationDate |
2000-08-24-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber |
WO-0049539-A1 |
| titleOfInvention |
Method and system for artificial intelligence directed lead discovery through multi-domain clustering |
| abstract |
A system for analyzing a vast amount of data representative of chemical structure and activity information and concisely providing conclusions about structure-to-activity relationships. A computer may adaptively learn new substructure descriptors based on its analysis of the input data. The computer may then apply each substructure descriptor as a filter to establish new groups of molecules that match the descriptor. From each new group of molecules, the computer may in turn generate one or more additional new groups of molecules. A result of the analysis in an exemplary arrangement is a tree structure that reflects pharmacophoric information and efficiently establishes through lineage what effect on activity various chemical substructures are likely to have. The tree structure can then be applied as a multi-domain classifier, to help a chemist classify test compounds into structural subclasses. |
| isCitedBy |
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-0233596-A3
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/EP-1631925-A4
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-0233596-A2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/AU-2002215028-B2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-03042702-A3
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-2021038420-A1
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-03042702-A2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/GB-2398665-B
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/EP-1631925-A1 |
| priorityDate |
1999-02-19-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type |
http://data.epo.org/linked-data/def/patent/Publication |