This thesis deals with the problem of searching of structures in large chemical compounds databases. The aim is to design and implement an efficient system that supports two basic types of search, which are identity and substructure search. This task is complicated not only by the large number of entries in databases but also by graph representation of chemical structures, for which many algorithms are hard to solve. The thesis will introduce concepts which will prove useful in solving these problems. A web service is also created as a part of the thesis in order to make the database searching available to the users.
| Identifer | oai:union.ndltd.org:nusl.cz/oai:invenio.nusl.cz:385936 |
| Date | January 2018 |
| Creators | Ševčík, Ivan |
| Contributors | Rychlý, Marek, Křivka, Zbyněk |
| Publisher | Vysoké učení technické v Brně. Fakulta informačních technologií |
| Source Sets | Czech ETDs |
| Language | Czech |
| Detected Language | English |
| Type | info:eu-repo/semantics/masterThesis |
| Rights | info:eu-repo/semantics/restrictedAccess |
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