Abstract
Graph embedding (subgraph isomorphism) is an NP-complete problem of great theoretical and practical importance in the sciences, especially chemistry and computer science. This paper presents positive test results for techniques to speed embedding by modeling graphs with subroutines, precalculating edge tables, turning recursion into iteration, and using search-ordering heuristics. The expert system synchem2 searches for synthesis routes of organic molecules without the online guidance of a user, and this paper examines how embedding information helps to implement the central operations of synchem2: selection, application, and evaluation of chemical reactions. The paper also outlines the architecture of synchem2, analyzes the computational time complexity of embedding and related problems in graph isomorphism and canonical chemical naming, and suggests topics and techniques for further research.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
