http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-109473147-B
Outgoing Links
| Predicate | Object |
|---|---|
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16C20-90 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16C20-70 |
| filingDate | 2018-10-08-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| grantDate | 2022-08-02-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationDate | 2022-08-02-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | CN-109473147-B |
| titleOfInvention | A fast method for predicting the forbidden band width of polymers |
| abstract | The invention relates to a method for rapidly predicting the forbidden band width of polymers. Based on the first principle combined with a support vector machine, the invention includes the following steps: searching for experimental values of the structure and forbidden band width of polymers from literature; using different first principles Calculate the forbidden band width using the principle method, and select the optimal method; find the repeating unit from the literature and optimize the structure of the 4-module polymer; calculate the forbidden band width of the 4-module polymer; use the Dragon software to generate descriptors, data Divided into modeling set and test set; use the maximum correlation and minimum redundancy algorithm to screen variables, and use the support vector machine to build the model; according to the established model, quickly predict the forbidden band width of the polymer to be detected. The invention is based on reliable literature data and modeling methods, and the established prediction model of the forbidden band width of the polymer has the advantages of simplicity, speed, low cost, no pollution and the like. |
| priorityDate | 2018-10-08-04:00^^<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/substance/SID458392451 |
Total number of triples: 11.