4 papers · 1 filter
Disconnection Rules are Complete for Chemical Reactions
Ella Gale, Leo Lobski, Fabio Zanasi
We provide a category theoretical framework capturing two approaches to graph-based models of chemistry: formal reactions and disconnection rules. We model a translation from the l…
Quantitative Monoidal Algebra: Axiomatising Distance with String Diagrams
Gabriele Lobbia, Wojciech Różowski, Ralph Sarkis +1
String diagrammatic calculi have become increasingly popular in fields such as quantum theory, circuit theory, probabilistic programming, and machine learning, where they enable re…
Learning Closed Signal Flow Graphs
Ekaterina Piotrovskaya, Leo Lobski, Fabio Zanasi
We develop a learning algorithm for closed signal flow graphs - a graphical model of signal transducers. The algorithm relies on the correspondence between closed signal flow graph…
A Categorical Model for Retrosynthetic Reaction Analysis
Ella Gale, Leo Lobski, Fabio Zanasi
We introduce a mathematical framework for retrosynthetic analysis, an important research method in synthetic chemistry. Our approach represents molecules and their interaction usin…