| Predicate |
Object |
| assignee |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_b8748e485d50551657198b0076926eb2
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_a7df5b9d9f5a72a484ff9c09b4a6fda0
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_aa073234e1ab2f86e0ff2f6163daea4b |
| classificationCPCAdditional |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-70 |
| classificationCPCInventive |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-30 |
| classificationIPCInventive |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F17-50 |
| filingDate |
1999-01-07-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_bd6dd4351002887ed0e3346f299bfb97
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_33f27a284680f981f048468b918f9e7e |
| publicationDate |
1999-07-15-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber |
WO-9935599-A1 |
| titleOfInvention |
Apparatus and method for use in the manufacture of chemical compounds |
| abstract |
A signal processing system is used in the manufacture of chemical compound to predict which molecules may have a required property for the compound. In the signal processing system, signals defining molecules in a training set and a measured property of each molecule are processed to produce fixed length signals encoding each molecule by (i) identifying for each molecule active atoms which may cause the molecule to react, and physical properties; (ii) defining each unique group which contacts a given number of the active atoms as a 'key' in terms of the atoms and their relative positions; (iii) determining the contribution each key makes to the measured property of molecules containing the key; (iv) forming a histogram of the contributions of the keys in a molecule; and (v) encoding the molecule using the histogram values and the physical properties. The training data is used to train a neural network. A further molecule is encoded as before, but using the individual key contributions defined during training. The trained neural network is used to predict the property of the further molecule. |
| isCitedBy |
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-2021110240-A1
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-11205113-B2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-11663447-B2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-10915808-B2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/FR-3078804-A1
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-6834239-B2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-0217149-A3
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-10366324-B2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-0217149-A2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-2019170999-A3
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-7054757-B2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-2017040001-A1
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-107969156-A |
| priorityDate |
1998-01-09-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type |
http://data.epo.org/linked-data/def/patent/Publication |