| Predicate |
Object |
| assignee |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_2fceec25c321a871fb70887ccbf70089 |
| classificationCPCAdditional |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/Y10S707-99943
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-70 |
| classificationCPCInventive |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G01N33-6803
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-30 |
| classificationIPCInventive |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G01N33-50
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06Q10-00
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F7-00
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F19-00
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G01N33-15
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G01N33-68
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G01N33-48
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/C40B30-02 |
| filingDate |
2002-10-11-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| grantDate |
2006-09-26-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_db28a7d3fb63d9bca0897603987605da
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_cb806657bb36f9b64fd89dcaf54ddb15 |
| publicationDate |
2006-09-26-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber |
US-7113870-B2 |
| titleOfInvention |
Prediction of molecular polar surface area and bioabsorption |
| abstract |
The polar surface area of molecules is computed without reference to three dimensional molecular structures using a linear equation incorporating counts of nitrogens, oxygens, and related atom clusters. Methods and systems for predicting intestinal absorption and blood brain barrier penetration of candidate compounds use the polar surface area and the octanol/water partition coefficient as descriptors. |
| priorityDate |
2000-04-19-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type |
http://data.epo.org/linked-data/def/patent/Publication |