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Citations per year

Number of citations per year for the bioinformatics software tool JSME
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Protocols

JSME specifications

Information


Unique identifier OMICS_04964
Name JSME
Interface Web user interface
Restrictions to use None
Programming languages Javascript
License BSD 3-clause “New” or “Revised” License
Computer skills Advanced
Stability Stable
Maintained Yes

Documentation


Maintainer


  • person_outline Peter Ertl

Additional information


A free trial is available on the site.

Information


Unique identifier OMICS_04964
Name JSME
Interface Graphical user interface
Restrictions to use None
Operating system Unix/Linux, Mac OS, Windows
Programming languages Javascript
License BSD 3-clause “New” or “Revised” License
Computer skills Medium
Stability Stable
Maintained Yes

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Versioning


No version available

Documentation


Maintainer


  • person_outline Peter Ertl

Additional information


A free trial is available on the site.

Publication for JSME

JSME citations

 (11)
call_split

The Mu.Ta.Lig. Chemotheca: A Community Populated Molecular Database for Multi Target Ligands Identification and Compound Repurposing

2018
PMCID: 5917039
PMID: 29725591
DOI: 10.3389/fchem.2018.00130
call_split See protocol

[…] 4 standard (www.w3.org). Static and dynamic web pages have been written using the PHP programming language (www.php.net). The advanced search form and the compound upload user interfaces include the JSME molecular editor (Bienfait and Ertl, ). All Chemotheca data are stored in a MySQL database (www.mysql.com). An ad hoc developed Python (www.python.org) code (CDC) computes molecular descriptors f […]

library_books

A confidence predictor for logD using conformal regression and a support vector machine

2018
J Cheminform
PMCID: 5882484
PMID: 29616425
DOI: 10.1186/s13321-018-0271-1

[…] prediction for a given SMILES at a user selected confidence level./predictionImage provides images showing molecule gradient for the prediction.Using the swagger service and the free molecule editor JSME [], we also created a web-based user interface where a prediction image is rendered continuously as a molecule is edited (http://predict-cplogd.os.pharmb.io/ []). The user interface also supports […]

library_books

The dye sensitized solar cell database

2018
J Cheminform
PMCID: 5882482
PMID: 29616364
DOI: 10.1186/s13321-018-0272-0

[…] han 1600 results. For each structure, the class of the dye (triphenylamine, coumarin etc.) have been recorded which facilitates the search for specific dyes. Structure-based searches (drawn using the JSME Molecular Editor []) can be carried out using either fingerprint-based Tanimoto similarity or SMARTS-based substructure matching, functions for which are available in the Pybel library []. The re […]

library_books

BoBER: web interface to the base of bioisosterically exchangeable replacements

2017
J Cheminform
PMCID: 5727005
PMID: 29234984
DOI: 10.1186/s13321-017-0251-x

[…] Three input options to search for bioisosteric or scaffold hopping replacement fragments are available. The first provides the JavaScript Molecular Editor (JSME) [] to enter a molecule, for example a drug structure, on which bioisosteric replacements are to be performed. After clicking the submit button, BoBER fragments the input structure, fragments of […]

library_books

The polypharmacology browser: a web based multi fingerprint target prediction tool using ChEMBL bioactivity data

2017
J Cheminform
PMCID: 5319934
PMID: 28270862
DOI: 10.1186/s13321-017-0199-x

[…] Finally, PPB merges the different target lists.The graphical user interface of PPB starts with an initial page wherein the user can input the structure of a query molecule using the JavaScript based JSME molecular editor (http://peter-ertl.com/jsme/) []. The structure can be drawn or copy-pasted in SMILES or sdf file format. An option is available to extract the query molecule from the Protein Da […]

library_books

Internet Databases of the Properties, Enzymatic Reactions, and Metabolism of Small Molecules—Search Options and Applications in Food Science

2016
Int J Mol Sci
PMCID: 5187839
PMID: 27929431
DOI: 10.3390/ijms17122039

[…] re curation. illustrates the weak point of OSRA. This application poorly recognizes classic structures displaying all hydrogen atoms. The steps of the recognition process in OSRA and curation in the JSME editor are presented in . Structures “a” and “c” in are equivalent. The structure presented in c was recognized by OSRA with one error (false positive recognition of one asymmetric carbon atom). […]


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JSME institution(s)
Molecular Networks GmbH, Erlangen, Germany; Novartis Institutes for BioMedical Research, Novartis Campus, Basel, Switzerland.

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