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Υπολογιστική μέθοδος σύγκρισης φαρμακολογικών ουσιών μέσω γονιδιακής έκφρασης στο μεταγραφικό επίπεδο

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dc.contributor.author Σάρδης, Αντώνιος el
dc.contributor.author Sardis, Antonios en
dc.date.accessioned 2020-02-03T11:49:02Z
dc.date.available 2020-02-03T11:49:02Z
dc.identifier.uri https://dspace.lib.ntua.gr/xmlui/handle/123456789/49743
dc.identifier.uri http://dx.doi.org/10.26240/heal.ntua.17441
dc.rights Αναφορά Δημιουργού-Μη Εμπορική Χρήση-Όχι Παράγωγα Έργα 3.0 Ελλάδα *
dc.rights.uri http://creativecommons.org/licenses/by-nc-nd/3.0/gr/ *
dc.subject Φάρμακο el
dc.subject Μηχανική μάθηση el
dc.subject Γονίδια el
dc.subject Βιολογική απόσταση el
dc.subject Σύγκριση ουσιών el
dc.subject Machine learning en
dc.subject Drug discovery en
dc.subject Biological distance en
dc.subject Gene expression en
dc.subject Drug repositioning en
dc.title Υπολογιστική μέθοδος σύγκρισης φαρμακολογικών ουσιών μέσω γονιδιακής έκφρασης στο μεταγραφικό επίπεδο el
dc.title A computational method for comparing pharmacological compounds based on gene expression en
heal.type bachelorThesis
heal.classification Βιοπληροφορική el
heal.language en
heal.access free
heal.recordProvider ntua el
heal.publicationDate 2019-10-02
heal.abstract Compound identification is the most crucial step in the drug discovery process. Today several computational methods focusing on chemical structure that aim to discover the optimal structure for a specific target or disease exist. Since the advent of the Connectivity Map and the release of large scale gene expression data following compound treatment, new methods that aim to discover compounds based on their biological function similarity have been proposed. These methods aim to discover compounds that cause a specific effect on cellular models, rather than relying purely on their chemical structure. The consensus of the two avenues (structure-based and function-based) is that similar compounds in structure will cause similar effects, but the opposite rarely holds. The aim of this project is twofold. First, to create new methods of calculating biological effect similarity based on gene expression data from compound perturbations. Second, to create a model that can predict the biological effect similarity of compounds from structural data, thus augment traditional structure-based screening approaches. On this front, first of all, the only attempt made on the above mentioned purposes is recreated and examined. It is about investigating the correlation between the chemical structure and the gene expression similarity of compound pairs. Afterwards, novel ways of processing the data at the transcriptional level are assessed and compared, aiming to the discovery of a characteristic able to decide whether a pair of pharmaceutical compounds are similar or not. Moreover, a new method of comparing compounds is defined and investigated. The foundation of this method consists of prior biological knowledge about protein networks and is then compared to the already existing ones. Finally, a machine learning model, which utilizes structural data in order to determine the pairwise transcriptional level similarity of compounds, is tested. en
heal.advisorName Αλεξόπουλος, Λεωνίδας
heal.committeeMemberName Αντωνιάδης, Ιωάννης
heal.committeeMemberName Κυριακόπουλος, Κωνσταντίνος
heal.academicPublisher Εθνικό Μετσόβιο Πολυτεχνείο. Σχολή Μηχανολόγων Μηχανικών. Τομέας Μηχανολογικών Κατασκευών και Αυτομάτου Ελέγχου el
heal.academicPublisherID ntua
heal.numberOfPages 75 σ.
heal.fullTextAvailability false


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Αναφορά Δημιουργού-Μη Εμπορική Χρήση-Όχι Παράγωγα Έργα 3.0 Ελλάδα Except where otherwise noted, this item's license is described as Αναφορά Δημιουργού-Μη Εμπορική Χρήση-Όχι Παράγωγα Έργα 3.0 Ελλάδα