http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-02074035-A2
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_4fdf464f880baa5cb6dcd11153f56e2a http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_ca0612f8c69e939c23882e927df558aa http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_c7ad58d3c0b071069a8ee0cb8c8ba2e8 |
| classificationCPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-80 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G01N33-48 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F19-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F17-30 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G01N33-15 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/C07B61-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G01N33-50 |
| filingDate | 2002-03-12-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_2d32cb795bf99d55578c1e2165870d52 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_fdefe3be6e2e2d6f5c458bb880198dd3 |
| publicationDate | 2002-09-26-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | WO-02074035-A2 |
| titleOfInvention | Method for generating a hierarchical topological tree of 2d or 3d-structural formulas of chemical compounds for property optimisation of chemical compounds |
| abstract | The invention concerns a new method for automatically and dynamically generating hierarchical topological trees of 2D- or 3D-structural formulas for structurally characterized chemical compounds, especially drug-like molecules, wherein the molecular graph of each 2D- or 3D-structure for a chemical compound is analyzed in terms of topological key features, the Largest Topological Substructure (LTS) and the proper Topological Cluster Centre (TCC) are created for each molecular graph, the ranking of the classes of topological key features and/or the ranking within each class of topological key features present in the TCC is used to generate a connected hierarchical Topological Sequence Path (TSP) of sentinel molecules from each molecular graph, and different molecular graphs and their Topological Sequence Paths (TSPs) share common vertices for common topological key features thus growing a Topological Structure Tree (TST), each chemical compound from the input stream is attached as a leaf node to the appropriate Largest Topological Substructure (LTS) node in the tree.Le A 35 197- Foreign Countries- 6 - |
| priorityDate | 2001-03-15-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
Total number of triples: 29.