Chemaxon: Difference between revisions
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Instant JChem, a desktop application for end user scientists; JChem for Excel which integrates the structure handling capabilities of JChem and Marvin within a [[Microsoft Excel]]® environment. [http://investing.businessweek.com/research/stocks/private/snapshot.asp?privcapId=8968920 <sup>3</sup>] |
Instant JChem, a desktop application for end user scientists; JChem for Excel which integrates the structure handling capabilities of JChem and Marvin within a [[Microsoft Excel]]® environment. [http://investing.businessweek.com/research/stocks/private/snapshot.asp?privcapId=8968920 <sup>3</sup>] |
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The software can be used to predict pKa values |
The software can be used to predict pKa values<ref>{{cite journal|title=Comparison of Predicted pKa Values for |
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Some Amino-Acids, Dipeptides and Tripeptides,Using COSMO-RS, ChemAxon and ACD/Labs Methods|last=Toure|first=O.|last2=Dussap|first2=C.-G|last3=Lebert|first3=A.|journal=Oil & Gas Science and Technology – Rev. IFP Energies nouvelles|volume=68|year=2013|issue=2|pages=281-291|DOI=10.2516/ogst/2012094}}</ref> |
Some Amino-Acids, Dipeptides and Tripeptides,Using COSMO-RS, ChemAxon and ACD/Labs Methods|last=Toure|first=O.|last2=Dussap|first2=C.-G|last3=Lebert|first3=A.|journal=Oil & Gas Science and Technology – Rev. IFP Energies nouvelles|volume=68|year=2013|issue=2|pages=281-291|DOI=10.2516/ogst/2012094}}</ref> and logP values.<ref>{{cite journal|title=ChemDB: a public database of small molecules and related chemoinformatics resources|last=Chen|first|Jonathan|last2=Swamidass|first2=S. Joshua|last3=Dou|first3=Yimeng|last4=Bruand|first4=Jocelyne|last5=Baldi|first5=Pierre| journal=Bioinformatics|year=2005|volume=21|issue=22|pages=4133-4139|doi=10.1093/bioinformatics/bti683}}</ref> |
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The company developmed Markush structure storage and search capabilities (without enumeration), with Markush structures from [[Thomson Reuters]] Derwent World Patents Index® (DWPISM) database. [http://thomsonreuters.com/products/ip-science/04_010/ipdatafeedsmarkush-final.pdf IP data Feed]. |
The company developmed Markush structure storage and search capabilities (without enumeration), with Markush structures from [[Thomson Reuters]] Derwent World Patents Index® (DWPISM) database. [http://thomsonreuters.com/products/ip-science/04_010/ipdatafeedsmarkush-final.pdf IP data Feed]. |
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[[Pearson Education]] uses ChemAxon's JChem, MarvinSketch, and MarvinView as the chemistry tools in many of Pearson MasteringChemistry courses.[http://www.prnewswire.com/news-releases/pearson-adds-chemaxons-suite-of-chemistry-tools-to-masteringchemistry-products-182352501.html <sup>5</sup>] |
[[Pearson Education]] uses ChemAxon's JChem, MarvinSketch, and MarvinView as the chemistry tools in many of Pearson MasteringChemistry courses.[http://www.prnewswire.com/news-releases/pearson-adds-chemaxons-suite-of-chemistry-tools-to-masteringchemistry-products-182352501.html <sup>5</sup>] |
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==Methods== |
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Molecule characterization data in the form of a [[Simplified molecular-input line-entry system|Simplified molecular-input line-entry system (SMILES)]] string can be uploaded into the Marvin software. |
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==See also== |
==See also== |
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| File:ChemAxon logo.png | |
| Company type | Private |
|---|---|
| Industry | Life Sciences, Informatics, Cheminformatics |
| Founded | 1998 |
| Headquarters | Budapest, Hungary |
| Website | www.chemaxon.com |
ChemAxon is a software company specializing in application programming interfaces and end user applications for cheminformatics and life science research research with headquarters in Budapest, Hungary and Cambridge, MA 1. The company's main customer base consists of pharmaceutical, agrochemical and biotechnology companies, as well as academic research groups and third parties wishing to integrate cheminformatic functionalities in their products and services.
Software
ChemAxon Products include tools for visualization and drawing of molecules, chemical database searching and management, drug discovery. ChemAxon provides products free for academic use. 2
ChemAxon’s desktop applications include Marvin which is a free chemistry software for drawing and visualizing chemical structures,
Instant JChem, a desktop application for end user scientists; JChem for Excel which integrates the structure handling capabilities of JChem and Marvin within a Microsoft Excel® environment. 3
The software can be used to predict pKa values[1] and logP values.[2]
The company developmed Markush structure storage and search capabilities (without enumeration), with Markush structures from Thomson Reuters Derwent World Patents Index® (DWPISM) database. IP data Feed.
Pearson Education uses ChemAxon's JChem, MarvinSketch, and MarvinView as the chemistry tools in many of Pearson MasteringChemistry courses.5
Methods
Molecule characterization data in the form of a Simplified molecular-input line-entry system (SMILES) string can be uploaded into the Marvin software.
See also
- Computational chemistry
- Cheminformatics
- Chemical database
- Drug design
- QSAR
- Data mining
- Molecule editor
- chemicalize.org
References
- ^ Toure, O.; Dussap, C.-G; Lebert, A. (2013). "Comparison of Predicted pKa Values for
Some Amino-Acids, Dipeptides and Tripeptides,Using COSMO-RS, ChemAxon and ACD/Labs Methods". Oil & Gas Science and Technology – Rev. IFP Energies nouvelles. 68 (2): 281–291. doi:10.2516/ogst/2012094.
{{cite journal}}: line feed character in|title=at position 39 (help) - ^ Chen; Swamidass, S. Joshua; Dou, Yimeng; Bruand, Jocelyne; Baldi, Pierre (2005). "ChemDB: a public database of small molecules and related chemoinformatics resources". Bioinformatics. 21 (22): 4133–4139. doi:10.1093/bioinformatics/bti683.
{{cite journal}}: Text "Jonathan" ignored (help); Text "first" ignored (help)
1. New headquarters announcement 2. Free software for the academic community 3. Desktop applications for chemists 4. Thomson Reuters Partnership announcement 5. Pearson and ChemAxon announcement
External links
- ChemAxon's official homepage
- Marvin and Calculator Plugin online implementation Free structure drawing/image generation and structure based predictions; pKa, logP, logD, name<>structure, polar surface area (PSA), H-bond acceptor/donor, conformer, topology analysis, etc.
- chemicalize.org Public resource for visualizing chemistry on web pages and generating structure properties