An Implementation for Framework for Chemical Structure using Graph Grammar
Author(s):
Prof. Samir Kumar Bandyopadhyay , JIS University; Taniya Seal, University of CalcuttaKeywords:
Transformation Rule, Graph Transformation, Graph GrammarAbstract:
Modeling molecules as undirected graphs and chemical reactions as graph rewriting operations is a natural and convenient approach to modeling chemistry. Graph grammar rules are most naturally employed to model elementary reactions like merging, splitting, and isomerisation of molecules. In this paper a generic approach for composing graph grammar rules to define a chemically useful rule compositions. We iteratively apply these rule compositions to elementary transformations in order to automatically infer complex transformation patterns.
Other Details:
| Manuscript Id | : | J4RV3I12022 |
| Published in | : | Volume : 3, Issue : 12 |
| Publication Date | : | 01/03/2018 |
| Page(s) | : | 58-66 |
