Molecular Structure Input on the Web
Tools
Tools
Ertl, Peter (2010) Molecular Structure Input on the Web. Journal of Cheminformatics, 2. p. 1. ISSN 1758-2946
Abstract
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.
| Item Type: | Article |
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| Additional Information: | Author can archive post-print (ie final draft post-refereeing); Publisher's version/PDF may be used |
| Keywords: | cheminformatics |
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| Date Deposited: | 13 Oct 2015 13:16 |
| Last Modified: | 13 Oct 2015 13:16 |
| URI: | https://oak.novartis.com/id/eprint/2151 |