| dc.contributor.advisor | Hoksza, David | |
| dc.creator | Kolář, Jiří | |
| dc.date.accessioned | 2017-09-27T09:34:52Z | |
| dc.date.available | 2017-09-27T09:34:52Z | |
| dc.date.issued | 2017 | |
| dc.identifier.uri | http://hdl.handle.net/20.500.11956/90456 | |
| dc.description.abstract | Title: Utilization of latent semantic analysis in virtual screening Author: Jiří Kolář Department: Department of Software Engineering Supervisor: RNDr. David Hoksza, Ph.D., Department of Software Engineering Abstract: Aim of this thesis is to investigate utilisation of latent semantic in- dexing in Virtual screening. We have examined existing VS method called lat- ent semantic structural indexing (LaSSI) and compared performance of different structural fingerprints. Additionally, we have developed a new model that com- pare fragments of molecules by usage of latent semantic indexing. Fragments are characterized by formula based counts and descriptors describing the physi- cochemical properties. Results of our methods are compared to VS techniques using directly standard fingerprints. Keywords: virtual screening cheminformatics ligand-based fingerprints ECFP TT latent semantic analysis LaSSI iii | en_US |
| dc.language | English | cs_CZ |
| dc.language.iso | en_US | |
| dc.publisher | Univerzita Karlova, Matematicko-fyzikální fakulta | cs_CZ |
| dc.subject | latent semantic analysis | en_US |
| dc.subject | virtual screening | en_US |
| dc.subject | cheminformatics | en_US |
| dc.subject | latentní sémantická analýza | cs_CZ |
| dc.subject | virtuální screening | cs_CZ |
| dc.subject | cheminformatika | cs_CZ |
| dc.title | Utilization of latent semantic analysis in virtual screening | en_US |
| dc.type | bakalářská práce | cs_CZ |
| dcterms.created | 2017 | |
| dcterms.dateAccepted | 2017-09-06 | |
| dc.description.department | Department of Software Engineering | en_US |
| dc.description.department | Katedra softwarového inženýrství | cs_CZ |
| dc.description.faculty | Faculty of Mathematics and Physics | en_US |
| dc.description.faculty | Matematicko-fyzikální fakulta | cs_CZ |
| dc.identifier.repId | 177608 | |
| dc.title.translated | Využití latentní sémantické analýzy pro virtuální screening | cs_CZ |
| dc.contributor.referee | Škoda, Petr | |
| thesis.degree.name | Bc. | |
| thesis.degree.level | bakalářské | cs_CZ |
| thesis.degree.discipline | General Computer Science | en_US |
| thesis.degree.discipline | Obecná informatika | cs_CZ |
| thesis.degree.program | Informatika | cs_CZ |
| thesis.degree.program | Computer Science | en_US |
| uk.thesis.type | bakalářská práce | cs_CZ |
| uk.taxonomy.organization-cs | Matematicko-fyzikální fakulta::Katedra softwarového inženýrství | cs_CZ |
| uk.taxonomy.organization-en | Faculty of Mathematics and Physics::Department of Software Engineering | en_US |
| uk.faculty-name.cs | Matematicko-fyzikální fakulta | cs_CZ |
| uk.faculty-name.en | Faculty of Mathematics and Physics | en_US |
| uk.faculty-abbr.cs | MFF | cs_CZ |
| uk.degree-discipline.cs | Obecná informatika | cs_CZ |
| uk.degree-discipline.en | General Computer Science | en_US |
| uk.degree-program.cs | Informatika | cs_CZ |
| uk.degree-program.en | Computer Science | en_US |
| thesis.grade.cs | Výborně | cs_CZ |
| thesis.grade.en | Excellent | en_US |
| uk.abstract.en | Title: Utilization of latent semantic analysis in virtual screening Author: Jiří Kolář Department: Department of Software Engineering Supervisor: RNDr. David Hoksza, Ph.D., Department of Software Engineering Abstract: Aim of this thesis is to investigate utilisation of latent semantic in- dexing in Virtual screening. We have examined existing VS method called lat- ent semantic structural indexing (LaSSI) and compared performance of different structural fingerprints. Additionally, we have developed a new model that com- pare fragments of molecules by usage of latent semantic indexing. Fragments are characterized by formula based counts and descriptors describing the physi- cochemical properties. Results of our methods are compared to VS techniques using directly standard fingerprints. Keywords: virtual screening cheminformatics ligand-based fingerprints ECFP TT latent semantic analysis LaSSI iii | en_US |
| uk.file-availability | V | |
| uk.publication.place | Praha | cs_CZ |
| uk.grantor | Univerzita Karlova, Matematicko-fyzikální fakulta, Katedra softwarového inženýrství | cs_CZ |
