Abstract:In this work, we consider a frame of multirepresentation for the molecules and the supermolecules. This is an open architecture based on graphs and lists which enables the storage and the handling of the information about chemical species at different levels of fullness and accuracy. From viewpoint of systems theory, it is a conceptual framework for a set of interrelated components involving processes. This gives a simple picture for the backward inference as the shortest path in a graph where vertices are com… Show more
Set email alert for when this publication receives citations?
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.