Quantitative structure-property relationship modeling algorithms, challenges and IT solutions – Mgr. Ondřej Skřehota
Mgr. Ondřej Skřehota
Advanced ('rigorózní') thesis
Quantitative structure-property relationship modeling algorithms, challenges and IT solutions
Quantitative structure-property relationship modeling algorithms, challenges and IT solutions
Abstract:
V současnosti je dostupno mnoho experimentálních a predikovaných dat o 3D strukturách organických molekul a biomolekul. Jednou z klíčových metodik zpracování je Quantitative Structure-Property Relationship (QSPR) modelování. Tato metodologie popisuje molekuly skrze různé numerické hodnoty (zvané deskriptory), které obsahují strukturální charakteristiky molekul. Následně je deskriptorů využíváno k počítání …moreAbstract:
Nowadays, a large amount of experimental and predicted data about the 3D structure of organic molecules and biomolecules is available. One of key methodologies for processing these data is Quantitative Structure-Property Relationship (QSPR) modeling. This methodology expresses molecules via various numerical values (called descriptors), which encode the structural characteristics of molecules. Afterwards …more
Language used: English
Date on which the thesis was submitted / produced: 29. 11. 2010
Identifier:
https://is.muni.cz/th/zsc02/
Thesis defence
- Date of defence: 30. 3. 2011
- Reader: Ing. Matej Lexa, Ph.D., Mgr. Jan Žídek, Ph.D.
Citation record
Full text of thesis
Contents of on-line thesis archive
Published in Theses:- světu
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Institution archiving the thesis and making it accessible: Masarykova univerzita, Fakulta informatikyMasaryk University
Faculty of InformaticsAdvanced ('rigorózní řízení') programme / field:
Applied Informatics / Applied Informatics
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