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Found 5 papers, 1 papers with code
Automated Inference of Graph Transformation Rules
The explosion of data available in life sciences is fueling an increasing demand for expressive models and computational methods.
On the Realisability of Chemical Pathways
The exploration of pathways and alternative pathways that have a specific function is of interest in numerous chemical contexts.
What makes a reaction network "chemical"?
In particular, these realizations can be chosen such that any two species have distinct sum formulas, unless $\mathbf{S}$ implies that they are "obligatory isomers".
Defining Autocatalysis in Chemical Reaction Networks
Given a chemical reaction network, however, it is not at all straightforward to identify species that are autocatalytic in the sense that there is a sub-network that takes $X$ as input and produces more than one copy of $X$ as output.
Graph Transformation for Enzymatic Mechanisms
Results: We use the mathematical framework of graph transformation to express the distinction between rules and reactions in chemistry.
