A NEW METHOD OF COMPUTER REPRESENTATION OF STEREOCHEMISTRY - TRANSFORMING A STEREOCHEMICAL STRUCTURE INTO A GRAPH

A new method of computer representation of stereochemical structures, which include double bonds and asymmetric carbon atoms, is described. The method is very simple, and a stereochemical structure is transformed into a graph. From the results, graph algorithms, which have been intensively studied in computer science, can be directly applied to chemical structures. Especially, a polynomial time algorithm for stereochemically unique naming is implied, for which SEMA (stereochemically extended Morgan algorithm) does not work in polynomial time.