http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-11195597-B2
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_e5db580deca7130dbe51805c6c608b35 |
| classificationCPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-30 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B99-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-90 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G01N33-48 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16B99-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16C20-30 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16C20-90 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G01N33-50 |
| filingDate | 2017-12-29-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| grantDate | 2021-12-07-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_849e01a72c493d115aff27f98d6d97ff |
| publicationDate | 2021-12-07-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | US-11195597-B2 |
| titleOfInvention | Method and device for calculating acid dissociation constant, and program |
| abstract | A calculation method of acid dissociation constant, including: calculating the acid dissociation constant using function that uses index value determined based on electron density between two atoms in calculation target molecule and coefficient value determined based on types of two elements of set of the two atoms, wherein when the calculation target molecule includes at least one amino group and dissociation of hydrogen atom from one amino group in the at least one amino group is calculated, the function further uses second electron density of nitrogen atom in the one amino group not related to bond between the nitrogen atom and another atom, bond distance between the nitrogen atom and the hydrogen atom, and molecular orbital energy of the calculation target molecule, wherein the calculation method is method for calculating acid dissociation constant in dissociation of the hydrogen atom from the calculation target molecule using computer. |
| priorityDate | 2015-07-17-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
Total number of triples: 722.