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Molecular structure input on the web

A molecule editor, that is program for input and editing of molecules, is an indispensable part of every cheminformatics or molecular processing system. This review focuses on a special type of molecule editors, namely those that are used for molecule structure input on the web. Scientific computing...

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Detalles Bibliográficos
Autor principal: Ertl, Peter
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2827360/
https://www.ncbi.nlm.nih.gov/pubmed/20298528
http://dx.doi.org/10.1186/1758-2946-2-1
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author Ertl, Peter
author_facet Ertl, Peter
author_sort Ertl, Peter
collection PubMed
description A molecule editor, that is program for input and editing of molecules, is an indispensable part of every cheminformatics or molecular processing system. This review focuses on a special type of molecule editors, namely those that are used for molecule structure input on the web. Scientific computing is now moving more and more in the direction of web services and cloud computing, with servers scattered all around the Internet. Thus a web browser has become the universal scientific user interface, and a tool to edit molecules directly within the web browser is essential. The review covers a history of web-based structure input, starting with simple text entry boxes and early molecule editors based on clickable maps, before moving to the current situation dominated by Java applets. One typical example - the popular JME Molecule Editor - will be described in more detail. Modern Ajax server-side molecule editors are also presented. And finally, the possible future direction of web-based molecule editing, based on technologies like JavaScript and Flash, is discussed.
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spelling pubmed-28273602015-02-19 Molecular structure input on the web Ertl, Peter J Cheminform Review A molecule editor, that is program for input and editing of molecules, is an indispensable part of every cheminformatics or molecular processing system. This review focuses on a special type of molecule editors, namely those that are used for molecule structure input on the web. Scientific computing is now moving more and more in the direction of web services and cloud computing, with servers scattered all around the Internet. Thus a web browser has become the universal scientific user interface, and a tool to edit molecules directly within the web browser is essential. The review covers a history of web-based structure input, starting with simple text entry boxes and early molecule editors based on clickable maps, before moving to the current situation dominated by Java applets. One typical example - the popular JME Molecule Editor - will be described in more detail. Modern Ajax server-side molecule editors are also presented. And finally, the possible future direction of web-based molecule editing, based on technologies like JavaScript and Flash, is discussed. BioMed Central 2010-02-02 /pmc/articles/PMC2827360/ /pubmed/20298528 http://dx.doi.org/10.1186/1758-2946-2-1 Text en Copyright © 2010 Ertl; licensee BioMed Central Ltd. http://creativecommons.org/licenses/by/2.0 This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Review
Ertl, Peter
Molecular structure input on the web
title Molecular structure input on the web
title_full Molecular structure input on the web
title_fullStr Molecular structure input on the web
title_full_unstemmed Molecular structure input on the web
title_short Molecular structure input on the web
title_sort molecular structure input on the web
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2827360/
https://www.ncbi.nlm.nih.gov/pubmed/20298528
http://dx.doi.org/10.1186/1758-2946-2-1
work_keys_str_mv AT ertlpeter molecularstructureinputontheweb