http://rdf.ncbi.nlm.nih.gov/pubchem/patent/KR-102110176-B1
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_20261b1802a15feb75070ad2129e169a |
| classificationCPCAdditional | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G06N3-045 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-30 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G06N3-047 |
| classificationCPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G06N3-0427 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G06N3-04 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-50 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-70 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-30 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G06N5-022 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G06N3-08 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G06N3-088 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G06N3-084 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G06N3-042 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06N3-04 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06N5-02 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06N3-08 |
| filingDate | 2019-10-11-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| grantDate | 2020-05-13-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_5052f1a5dc011fd6e7941fc5f3cc8edb http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_7c42421fe12c8dd954c92d8cc54c680e |
| publicationDate | 2020-05-13-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | KR-102110176-B1 |
| titleOfInvention | Method and apparatus for deriving new drug candidate substance |
| abstract | A method for deriving new drug candidates performed by a computing device may be disclosed. The method for deriving new drug candidates includes generating a tablet knowledge network in which nodes each representing a biological entity are connected using a connection line representing a correlation between nodes, and analyzing drug-disease node pairs existing in the tablet knowledge network Determining a basic drug for deriving a new drug candidate substance, and obtaining an analogous substance having a chemical structure similar to that of the basic drug using an artificial neural network based structural prediction model, wherein the biological entity includes genes, proteins , Metabolites, symptoms, diseases, compounds, and drugs, and at least one of the categories of interaction, interaction (interact), participation (participate), covariate (covariate), regulation (regulate), association (associate) , Bind, upregulate, cause, resemble, treat, downregulates, alleviate (p It includes at least one of alliate, present, localize, include, and express, and the structural prediction model includes a SMILES (Simplified Molecular-Input Line-Entry System) -based string of the base drug. Can be entered. The method for deriving new drug candidates further comprises predicting physical properties for similar substances through an artificial neural network-based physical property prediction model, and physical properties include solubility, hydration energy, melting point, boiling point, toxicity, electrical stability, and excited state properties , Protein-ligand bond, dissociation constant, and membrane permeability. |
| isCitedBy | http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-2022060040-A1 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/KR-102268144-B1 |
| priorityDate | 2019-10-11-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
Total number of triples: 46.