http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-114520031-A
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_d6a6f422b091ba12ea61d4adbf1b0e8e |
| classificationCPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-30 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-70 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16C20-70 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16C20-30 |
| filingDate | 2022-01-24-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_390cbbe8341831b2a99c043349cd72d4 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_556b1dd6e55cb7bdaec048cf1ad37f34 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_ca690a85fbcc0529988cc129ff6368e7 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_a428c40cfc869081ac4711b32256891f http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_b890f0ae2016261a322f35beed91aa11 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_bfe89c9cec7c0bff10025d6888bab60d |
| publicationDate | 2022-05-20-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | CN-114520031-A |
| titleOfInvention | A machine learning-based prediction method for compound placental membrane permeability |
| abstract | The invention discloses a method for predicting the placental membrane permeability of compounds based on machine learning, comprising the following steps: (1) establishing a judgment standard for the placental membrane permeability of compounds; (2) collecting compounds to establish a BPBData data set, and obtaining sample data and sample labels, and preprocess the sample data; (3) build a prediction model based on machine learning algorithms, and use the preprocessed sample data to train the prediction model under the supervision of the sample labels to optimize the parameters of the prediction model; (4) ) predicts the placental membrane permeability of the test compound. The method of the invention uses the dual parameters F/M (fetal-maternal blood concentration ratio of the compound in vivo) and CI (clearance index) to establish the judgment standard of the placental membrane permeability of the compound; and then constructs a prediction model of the molecular structure characteristics of the compound and its placental membrane permeability , to achieve high-throughput, low-time, low-cost, and high-precision prediction of compound placental membrane permeability. |
| isCitedBy | http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-115274002-A http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-115274002-B |
| priorityDate | 2022-01-24-04:00^^<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/SID425470349 http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2206 |
Total number of triples: 22.