http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-114171112-A
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_49790ed5b8ddc5fa27a1d47732c612df |
| classificationCPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B15-30 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B50-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B25-00 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16B15-30 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16B25-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16B50-00 |
| filingDate | 2021-11-02-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_b5ca2af610b7c443f3e31e50a1fad338 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_cc2b9482c29a9ab47ff3e3ca05f36b27 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_e6c21039d2bcaa73c773a4111896e529 |
| publicationDate | 2022-03-11-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | CN-114171112-A |
| titleOfInvention | Protein structure-based drug design method by utilizing molecular hybridization technology |
| abstract | The invention discloses a drug design method based on protein structure by using molecular hybridization technology, which is characterized in that drug design is carried out by a constructed protein ligand compound expansion library and a molecular hybridization algorithm, wherein the constructed protein ligand compound expansion library comprises 809670 compound structures, and the protein ligand compound expansion library can provide experimental data for the subsequent molecular hybridization algorithm, thereby improving the synthesis feasibility of drug design molecules, finding out satisfied matching bonds through a molecular hybridization program, completing the hybridization and combination steps of molecules, and generating new molecules of drug design. Compared with the prior art, the method is simple and convenient, the progress of drug design is accelerated, the synthesis of drug design is guided, the design cost is reduced, and the drug design efficiency is improved. |
| priorityDate | 2021-11-02-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
| Predicate | Subject |
|---|---|
| isDiscussedBy | http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID962 http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID419512635 |
Total number of triples: 19.