Abstract
In this work, we explore the expressiveness of three graph-based representations of metabolic networks. We consider Abstract Metabolic Networks (AMNs), metabolic-Directed Acyclic Graphs (m-DAGs) and Reaction Graphs (RGs). These representations form a hierarchical view of the metabolism, AMNs being the most abstract, m-DAGs serving as the intermediate, and RGs being the most detailed. We evaluate their expressiveness for a case study comprising 331 Vertebrates and by using the Weisfeiler-Lehman graph kernel to perform the comparison. The results show that AMNs are not able to discern the various taxonomic groups at the Class level, while m-DAGs and RGs clearly distinguish Mammals, Fishes and Birds. When focusing on Mammals at the Order level, only m-DAGs are partially able to identify some of the taxonomic groups. Moreover, m-DAGs are able to distinguish Primates at the Infraorder level of taxonomy. Based on the obtained results, it emerges that m-DAGs are a good compromise between the amount of network information and the computational effort needed to obtain reliable patterns on the taxonomic clustering of the different organisms.
This work was partially supported by DAIS - Ca’ Foscari University of Venice within the IRIDE program and Grant PID2021-126114NB-C44 funded by MCIN/AEI/ 10.13039/501100011033 and by “ERDF A way of making Europe”.
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García, I., Chouaia, B., Llabrés, M., Palmer-Rodríguez, P., Simeoni, M. (2024). Analysing the Expressiveness of Metabolic Networks Representations. In: Villani, M., Cagnoni, S., Serra, R. (eds) Artificial Life and Evolutionary Computation. WIVACE 2023. Communications in Computer and Information Science, vol 1977. Springer, Cham. https://doi.org/10.1007/978-3-031-57430-6_7
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