| Predicate |
Object |
| assignee |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_e22fb3437e024a021771552025817d75
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_8ae2ac32cdd1d01c7f1762df558bc0d5
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_d3734acc89221391e765aba9ee8b8b4b
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_74eaf1d2a8e5ffc17d6e9091efd5b343
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_1a8b11eaf15d9b39927986fd061c98c2
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_ac7adde31536af8e1007f01888498a3d |
| classificationCPCAdditional |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G01N2500-20 |
| classificationCPCInventive |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G01N33-53
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C10-00 |
| classificationIPCInventive |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F19-16 |
| filingDate |
2012-08-06-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_404ceeeab5d4d1d8020013a40d8d08c8
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_4eab6ad87da2974e710def1ff0784176
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_6e5cabd9de1885bbc991d6ec4f2885d1 |
| publicationDate |
2013-05-16-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber |
WO-2013069348-A1 |
| titleOfInvention |
Interaction energy calculation system, method and program |
| abstract |
This system computes the interaction energy between a plurality of fragments in a substance on which calculations are to be performed according to the fragment molecular orbital method. The energy of each fragment, the two-body interaction energy of each dimer comprising two fragments, and the three-body interaction energy of each trimer comprising three fragments are calculated. The two-body interaction energy of each dimer is corrected by adding the contribution of said dimer within the three-body interaction energy of the trimer that includes said dimer to the two-body interaction energy of said dimer. |
| priorityDate |
2011-11-09-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type |
http://data.epo.org/linked-data/def/patent/Publication |