http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-111768812-A
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_7641d8ec4b289baa8268f4936e0e4635 |
| classificationCPCInventive | 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/G16C10-00 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16C10-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16C20-70 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16C20-30 |
| filingDate | 2020-07-07-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_fd1abefd283db5a8c2cb5e8bacdb4bf8 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_cac1f24fc556902fab55306320968d12 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_682ef228cfeaea776c31e202ef3fb24c http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_b6ddc0b97be0e71d2e92aa8ae764e357 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_2d024927a8b8d2c926476767191064ee |
| publicationDate | 2020-10-13-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | CN-111768812-A |
| titleOfInvention | Method for predicting organic PDMS film-water distribution coefficient |
| abstract | The invention discloses a method for predicting the water distribution coefficient of a PDMS film of an organic compound, which calculates a molecular descriptor through the molecular structure of the existing compound, constructs a quantitative structure-property relation model (QSPR) by adopting step-by-step multiple linear regression analysis and can quickly and efficiently predict the water distribution coefficient of the organic compound K PDMS‑w The value is obtained. The method is simple and rapid, has low cost, and can save manpower, material resources and financial resources required by experimental tests. The invention follows the construction and verification guide rules of an economic cooperation and development Organization (OECD) about QSPR models, aims to improve the prediction accuracy, adopts a transparent algorithm and is convenient for mechanism explanation. The model has good goodness of fit, robustness and prediction capability and has a definite application domain, contains 347 different compounds, and can effectively predict the PDMS film of the organic compound in the application domainThe water distribution coefficient fills the blank of data of other compounds, provides necessary basic data for monitoring environmental compounds and applying a passive sampler, and has great significance. |
| priorityDate | 2020-07-07-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
Total number of triples: 33.