| Predicate |
Object |
| assignee |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_7103341ca8ab34e10b7d93dc68c455f8
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_239b1fe8a19ef004b8c47c090a9c16d5
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_31bd99e992354effd74858e9671b3f81
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_15ae07b5be3c23268aadf8ea2a01593c
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_b18c7f1e01a6298ff938fdc2070199aa |
| classificationCPCAdditional |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B5-00
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G01N2333-90245
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G01N2333-795
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G01N2333-80 |
| classificationCPCInventive |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B15-00
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B15-30
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B5-00
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-10
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/C12Q1-26
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G01N33-6803 |
| classificationIPCInventive |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/C12Q1-26
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F17-50
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16B15-30
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16B5-00
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G01N33-68 |
| filingDate |
2002-03-05-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_3bd84431ce22c878ddc29c5bab640eb8
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_24d0c727a8e24b48edbaa095fb38dc81
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_2009f631e6d78eeed6d02913a435b721
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_fbc39756f25bb5eab04d16a477225e47 |
| publicationDate |
2004-05-06-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber |
WO-02075609-A9 |
| titleOfInvention |
Predicting metabolic stability of drug molecules |
| abstract |
Methods are disclosed for developing models used to rapidly predict metabolic stability and regioselectivity of drug molecules. Training sets, based on a sample of molecules with known reaction rates and/or activation energies, are used along with structural descriptors of the molecules in order to develop mathematical models of metabolism based on regression analysis of the activation energies and descriptors. The resulting models are then used to predict the metabolism of other molecules. The invention is particularly useful in developing simple models of cytochrome p450 enzyme metabolism. |
| priorityDate |
2001-03-15-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type |
http://data.epo.org/linked-data/def/patent/Publication |