An “imaginary transition structure” overlays the molecular graphs of the educt and product
sides of an elementary chemical reaction in a single graph to highlight the changes in bond …

Motivated by compositional categorical rewriting theory, we introduce a convolution product
over presheaves of double categories which generalizes the usual Day tensor product of …

We introduce a mathematical framework for retrosynthetic analysis, an important research
method in synthetic chemistry. Our approach represents molecules and their interaction …

We introduce a mathematical framework for retrosynthetic analysis, an important research
method in synthetic chemistry. Our approach represents molecules and their interaction …

Tracelets are the intrinsic carriers of causal information in categorical rewriting systems. In
this work, we assemble tracelets into a symmetric monoidal decomposition space, inducing …

Adaptive networks model social, physical, technical, or biological systems as attributed
graphs evolving at the level of both their topology and data. They are naturally described by …

The dynamics of meta-ecosystems are of crucial importance and, therefore, in theoretical
ecology, various model-based approaches are employed to analyze their internal effects …

Graph-based models of chemical processes typically come at two different levels of
abstraction: formal reactions and disconnection rules. The former are combinatorial …