title: Partial order in chemistry.
abstract: In chemistry, there is broad use of graphs and graph-theoretical invariants derived from them. Less known are directed graphs, as e.g., motivated in reaction networks. Here, the focus is on directed graphs derived from order theory. General approaches based on the structure of molecules as well as those derived from multivariate aspects in evaluation are discussed.
authors.forename: Rainer
authors.initials: R
authors.lastname: Brüggemann
mesh_terms: D020650:Combinatorial Chemistry Techniques; D008956:Models, Chemical; D010506:Periodicals as Topic