Computer Aided Organic Synthesis Based on Graph Grammars
Yi Wang, Han Ding, Ge Ging Xu · Applied Mechanics and Materials · 2013
Traditionally, computer aided organic synthesis is based on the one-dimensional string model that employs string grammars to tackle the structure of molecular; the processing of organic reactions, and the establishment of the knowledge bases and file systems. Because of the limitations of one-dimensional method for tackling two-dimensional issues like organic syntheses, this paper presents a method for computer aided organic synthesis based on two-dimensional graph grammars. The method could apply the basic principle of the graph grammars to effectively and efficiently solve organic synthesis problems.