http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-2010010955-A1
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_dab3c67d10841d16c66e71ee1a0f29bd |
| classificationCPCAdditional | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-30 |
| classificationCPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-50 |
| classificationIPCAdditional | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F19-16 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06N5-02 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F19-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F17-30 |
| filingDate | 2008-01-16-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_f8138f1545f425ee4b979fa5e6b1baff |
| publicationDate | 2010-01-14-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | US-2010010955-A1 |
| titleOfInvention | Molecule Fragmentation Scheme and Method for Designing New Molecules |
| abstract | Group based QSAR method (G-QSAR) is reported which uses descriptors evaluated only for the substituent groups or molecular fragments rather than whole molecule for generating QSAR. In addition, cross terms are calculated from product of descriptors at different substituent sites or fragments and used as descriptors to improve the QSAR models. This method provides QSAR models with predictive ability similar or better to conventional methods and in addition provides hints for sites or fragments of improvement in the molecules. The descriptor ranges for substituents or fragments are used to search for new groups/fragments leading to design of novel molecules with improved activity/property. |
| isCitedBy | http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-10790045-B1 |
| priorityDate | 2007-01-18-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
Total number of triples: 78.