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Machine learning-based identification of separating features in molecular fragments
Identifikace separujících vlastností molekulárních fragmentů pomocí strojového učení
bachelor thesis (DEFENDED)
Advisor: Hoksza, David
Date Issued: 2017
Date of defense: 31. 01. 2017
Faculty / Institute: Matematicko-fyzikální fakulta / Faculty of Mathematics and Physics
Abstract: Chosen molecular representation is one of the key parameters of virtual screening campaigns where one is searching in-silico for active molecules with respect to given macromolecular target. Most campaigns employ a molecular ...