Inconsistency-driven chemical graph construction in chemInfty

Abstract

This paper proposes a new method of chemical graph construction which is implemented in the chemical structure recognition and correction system ChemInfty (www.inftyproject.org/en/ChemInfty/). The system starts with recognizing the graphical elements of the chemical structure such as lines and characters. In the chemical graph construction phase the validity of the chemical graph is checked to detect inconsistencies. The graph construction starts with an empty chemical graph using only the graphical components. After a solving cycle the system returns a partially solved graph which can be checked for inconsistencies again. This results in a flexible, cycle based and inconsistency-driven graph construction. Furthermore the system introduces semi-automated correction allowing users to interact with the graph-construction cycles. © 2013 Springer-Verlag.