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InSilico Chemical Bond Validation Technique Based on a Semantic Chemical Structure Markup System

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Author(s): Punnaivanam Sankar

Journal: International Journal of Computer Applications
ISSN 0975-8887

Volume: 36;
Issue: 5;
Start page: 51;
Date: 2011;
Original page

Keywords: XML | Ontology | Chemical bonding

ABSTRACT
A technique to automatically validate the chemical bonding between the atoms during the structure construction on a computer screen using a chemical structure editor is developed. The technique involves the capturing of semantics of the electronLinks between the atoms involved in chemical bonding. An artificial intelligence component is developed to support the system to bring the decisions of valid chemical bonding based on the semantics of the electronLinks involved in bonding.

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