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Drawing oriented metabolic pathways and networks

Authors: Pérez Guerrero, Laura Hui;

Drawing oriented metabolic pathways and networks

Abstract

Tradicionalment, les vies metabòliques s'han representat manualment o semiautomàticament, un procés que sovint requereix molt de temps així com ajustaments manuals substancials. A mesura que les dades biològiques han anat augmentant exponencialment, la necessitat de mètodes de visualització més escalables i comprensibles s'ha fet cada vegada més important. Aquesta tesi presenta el desenvolupament d'una eina automatitzada dissenyada per dibuixar i visualitzar vies metabòliques i xarxes, proporcionant als investigadors un mitjà interactiu i eficient per analitzar dades bioquímiques complexes. El nucli d'aquest projecte implica l'ús d'hipergrafs dirigits per tal de modelar xarxes metabòliques. Transformant els hipergrafs en estructures de grafs tradicionals, podem aplicar i adaptar els algorismes de dibuix de grafs existents per visualitzar aquestes xarxes de manera efectiva. La nostra eina no només automatitza la generació de diagrames de xarxes metabòliques, sinó que també incorpora eines interactives, la qual cosa permet als usuaris personalitzar la visualització segons les seves necessitats específiques. Els usuaris poden reposicionar o duplicar nodes de diferents maneres. Aquestes eines permeten als investigadors explorar i analitzar dades metabòliques de manera més intuïtiva i flexible. En darrera instància, aquesta tesi té com a objectiu avançar en el camp de l'anàlisi de xarxes metabòliques proporcionant una eina de visualització robusta, automatitzada i interactiva, la qual cosa dona com a resultat una comprensió més profunda dels processos bioquímics complexos.

Traditionally, metabolic pathways have been depicted manually or semi-automatically, a process that is often time-consuming and requires substantial manual adjustments. As biological data has expanded exponentially, the need for more scalable and comprehensible visualisation methods has become increasingly important. This thesis presents the development of an automated tool designed to draw and visualise metabolic pathways and networks, providing researchers with an interactive and efficient means to analyse complex biochemical data. The core of this project involves the usage of directed hypergraphs to model metabolic networks. By transforming hypergraphs into traditional graph structures, we can apply and adapt existing graph drawing algorithms to visualise these networks effectively. Our tool not only automates the generation of metabolic network diagrams but also incorporates interactive features, allowing users to customise visualisations according to their specific needs. Users can reposition or duplicate nodes in different ways. These features empower researchers to explore and analyse metabolic data more intuitively and flexibly. Ultimately, this thesis aims to advance the field of metabolic network analysis by providing a robust, automated, and interactive visualisation tool, which results in a deeper understanding of complex biochemical processes.

Keywords

Programació que implica grafs o xarxes, Àrees temàtiques de la UPC::Informàtica::Aplicacions de la informàtica, Programació lineal entera, Grafs, Teoria de, Hipergrafs, Integer programming, Programming involving graphs or networks, Hypergraphs, Dibuix de grafs, xarxes, Graph theory, Graph drawing, Biologia de sistemes, networks, Algorismes de grafs, Systems biology, Graph algorithms, Teoria de grafs

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citations
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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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