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In-Silico Chemical Bond Validation Technique Based on a Semantic Chemical Structure Markup System

by Punnaivanam Sankar
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International Journal of Computer Applications
Foundation of Computer Science (FCS), NY, USA
Volume 36 - Number 5
Year of Publication: 2011
Authors: Punnaivanam Sankar
10.5120/4491-6322

Punnaivanam Sankar . In-Silico Chemical Bond Validation Technique Based on a Semantic Chemical Structure Markup System. International Journal of Computer Applications. 36, 5 ( December 2011), 51-55. DOI=10.5120/4491-6322

@article{ 10.5120/4491-6322,
author = { Punnaivanam Sankar },
title = { In-Silico Chemical Bond Validation Technique Based on a Semantic Chemical Structure Markup System },
journal = { International Journal of Computer Applications },
issue_date = { December 2011 },
volume = { 36 },
number = { 5 },
month = { December },
year = { 2011 },
issn = { 0975-8887 },
pages = { 51-55 },
numpages = {9},
url = { https://ijcaonline.org/archives/volume36/number5/4491-6322/ },
doi = { 10.5120/4491-6322 },
publisher = {Foundation of Computer Science (FCS), NY, USA},
address = {New York, USA}
}
%0 Journal Article
%1 2024-02-06T20:22:25.005607+05:30
%A Punnaivanam Sankar
%T In-Silico Chemical Bond Validation Technique Based on a Semantic Chemical Structure Markup System
%J International Journal of Computer Applications
%@ 0975-8887
%V 36
%N 5
%P 51-55
%D 2011
%I Foundation of Computer Science (FCS), NY, USA
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.

References
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Index Terms

Computer Science
Information Sciences

Keywords

XML Ontology Chemical bonding

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