Naslov
Genetic Algorithm Parametrization for Informed Exploration of Short Peptides Chemical Space

Autori
Otovic, Erik ; Njirjak, Marko ; Zuzic, Ivana ; Kalafatovic, Daniela ; Mausa, Goran

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, prošireni sažetak, znanstveni

Izvornik
Proceedings of SoftCOM 2020 / - : Institute of Electrical and Electronics Engineers (IEEE), 2020, 1-3

Skup
International Conference on Software, Telecommunications and Computer Networks (SoftCOM 2020)

Mjesto i datum
Hvar, Hrvatska, 17.09.2020. - 19.09.2020

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
NSGA-II ; parametrization ; chemical space

Sažetak
Chemical space is vast and its exploration by hand-picking chemical compounds with desirable features can appear slow and demanding. With the advancement in the field of search based algorithms such exploration can be rationally controlled. Our goal was to construct a genetic algorithm that searches through chemical space of short peptides in intelligent and fast manner. We achieved our goal by adapting the multi-objective NSGA-II algorithm through the implementation of the early stopping criterion and mitigation of possible memory issues by using simulated annealing. The contribution of this paper is the design strategy for multiple peptide libraries that cover greater area of search space in exploration of new active peptides.

Izvorni jezik
Engleski

Znanstvena područja
Interdisciplinarne prirodne znanosti, Računarstvo

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