Seminar za biomatematiko in matematično kemijo - Arhiv
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In 2012 we announced the House of Graphs (https://houseofgraphs.org/), which was a new database of graphs. The House of Graphs hosts complete lists of graphs of various graph classes, but its main feature is a searchable database of so called "interesting" graphs, which includes graphs that already occurred as extremal graphs or as counterexamples to conjectures. An important aspect of this database is that it can be extended by users of the website.
Over the years, several new features and graph invariants were added to the House of Graphs and users uploaded many interesting graphs to the website. But as the development of the original House of Graphs website started in 2010, the underlying frameworks and technologies of the website became outdated. This is why we completely rebuilt the House of Graphs using modern frameworks to build a maintainable and expandable web application that is future-proof. On top of this, several new functionalities were added to improve the application and the user experience.
In this talk we will present the House of graphs and highlight the changes and new features of the new website. We will also demonstrate how users can perform queries on this database and how they can add new interesting graphs to it.
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Chemical space is defined as the set of reported substances at a given time. It actually constitutes a space once the set is endowed with a notion of nearness. There are at least two options for such a nearnees: substance's resemblance and chemical reachability. The former is the basis of approaches boiling down to the concept of molecular similarity. The latter is related to chemical reaction networks. I will analyse in this talk the upper and lower bounds of the chemical space, the required memory space to store it and the possibilities for similarity studies in it. I will also discuss the central role of directed hypergraphs for modelling the space, as well as the bounds for the number of hypergraphs. Finally, I will discuss some features of the evolution of the chemical space and its implications for chemistry, as well as the opportunities for mathematics.
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