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JME Molecule Editor

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Molecule editor Java applet
JME Molecule Editor
Molecule displayed with JME Molecular Editor
Original author Peter Ertl
Developers Comenius University in Bratislava;
Ciba-Geigy, Novartis; Basel
Release1997;29years ago(1997)
Final release
2012.05 / May2012;14years ago(2012-05)
Written inJava
Operating system Cross-platform
Platform Java
SuccessorJSME
Available inEnglish
Type Molecule editor
License Proprietary freeware
Websitewww.molinspiration.com/jme

The JME Molecule Editor is a molecule editor Java applet with which users make and edit drawings of molecules and reactions (including generating substructure queries), and can display molecules within an HTML page.[1] The editor can generate Daylight simplified molecular-input line-entry system (SMILES) or MDL Molfiles of the created structures.

The JME Editor was written by Peter Ertl while at Comenius University in Bratislava, and then at Ciba-Geigy, later merged with Sandoz Laboratories, to form Novartis International AG, in Basel, Switzerland.

It is released as freeware for noncommercial use and has become a standard for molecular-structure input on the web.

JSME

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JSME Molecule Editor
Original authors Peter Ertl, Bruno Bienfait
Developers Novartis Institutes for Biomedical Research; Basel
Release2013;13years ago(2013)
Stable release
2017年02月26日 / February26, 2017;9 years ago(2017年02月26日)
Written inJavaScript
Operating system Cross-platform
Platform Web browser
PredecessorJME
Available inEnglish
Type Molecule editor
License Open-source BSD
Websitepeter-ertl.com/jsme

JME has been ported to JavaScript using the Google Web Toolkit (GWT). In analogy to JME, the JavaScript version is named JSME. Its interface is almost identical to that of JME,[2] although some cosmetic options are available.[3] It is released as free and open-source software under a 3-clause BSD license in the form of minified JavaScript produced by GWT.

As of February 2017[update] , JSME is capable of SMILES, MOL (original and V3000), InChI (and key), and SVG export.[3]

See also

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References

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  1. Ertl, Peter (2010). "Molecular structure input on the web". Journal of Cheminformatics. 2 (1): 1. doi:10.1186/1758-2946年2月1日 . PMC 2827360 . PMID 20298528.
  2. Bienfait, Bruno; Ertl, Peter (2013). "JSME: a free molecule editor in JavaScript". Journal of Cheminformatics. 5 (1): 24. doi:10.1186/1758-2946年5月24日 . PMC 3662632 . PMID 23694746.
  3. 1 2 "JSME test page".[permanent dead link ]
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Notes

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  1. ^ Interesting cheminformatics services using the JME editor Archived 2010年04月09日 at the Wayback Machine
  2. ^ List of institutions using JME applet


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