smartsview.zbh.uni-hamburg.de

Zentrum für Bioinformatik: Universität Hamburg - SMARTSviewer

ZBH : Universität Hamburg. The SMARTSviewer generates a visualization of a molecular pattern that is given in form of a SMARTS [1]. Here is an example:. A SMARTS describing a pattern with an azo group. Try your own SMARTS pattern:. Or view the SMARTSviewer Interface with all options:. I agree that my queries are stored (anonymously) and may be used for debugging. The SMARTSviewer can be accessed via an automatic url interface, click here for usage information:.

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Zentrum für Bioinformatik: Universität Hamburg - SMARTSviewer | smartsview.zbh.uni-hamburg.de Reviews

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ZBH : Universität Hamburg. The SMARTSviewer generates a visualization of a molecular pattern that is given in form of a SMARTS [1]. Here is an example:. A SMARTS describing a pattern with an azo group. Try your own SMARTS pattern:. Or view the SMARTSviewer Interface with all options:. I agree that my queries are stored (anonymously) and may be used for debugging. The SMARTSviewer can be accessed via an automatic url interface, click here for usage information:.

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Zentrum für Bioinformatik: Universität Hamburg - SMARTSviewer | smartsview.zbh.uni-hamburg.de Reviews

https://smartsview.zbh.uni-hamburg.de

ZBH : Universität Hamburg. The SMARTSviewer generates a visualization of a molecular pattern that is given in form of a SMARTS [1]. Here is an example:. A SMARTS describing a pattern with an azo group. Try your own SMARTS pattern:. Or view the SMARTSviewer Interface with all options:. I agree that my queries are stored (anonymously) and may be used for debugging. The SMARTSviewer can be accessed via an automatic url interface, click here for usage information:.

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Zentrum für Bioinformatik: Universität Hamburg - SMARTSviewer

http://smartsview.zbh.uni-hamburg.de/home/auto_retrieving

ZBH : Universität Hamburg. SMARTSviewer automatic visualization retrieving. Visualizations of the SMARTSviewer can be downloaded automatically as images via the SMARTSviewer URL. For this purpose, a special syntax needs to be followed:. Pdf, png or svg. 1 or 2 (1 = Complete Visualization, 2 = Element Symbols). Both, none, static, dynamic. All special symbols used in SMARTS can be used except '#', which has to be escaped with %23, see example 3. SMARTS: [$([nr5]:[nr5,or5,sr5]),$([nr5]:[cr5]:[nr5,or5,sr5])].

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Zentrum für Bioinformatik: Universität Hamburg - SMARTSviewer

http://smartsview.zbh.uni-hamburg.de/home/gallery

ZBH : Universität Hamburg. A SMARTS pattern describing the reactive group of sulfuryl halogenides. A SMARTS describing a pattern with an azo group. A SMARTS pattern matching a non-aromatic nitrogen bound to an aromatic carbon. A SMARTS pattern describing a reactive sulfur group. A SMARTS pattern describing an aromatic ring containing a nitrogen. A SMARTS pattern describing sulfur- or phosphornitride oxide. A SMARTS pattern describing one form of a sulfonamide. J Med Chem., 2010.

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http://www.dalkescientific.com/writings/diary/index.html

All of Andrew's writings. Writings from the software side of bioinformatics and chemical informatics, with a heaping of Python thrown in for good measure. Code to taste. Best served at room temperature. Software mentioned in ChEMBL SD records. When I work with real-world data sets, I usually start with PubChem before going on to ChEMBL. Why? The PubChem data is all generated by one chemistry toolkit - I'm pretty sure it's OEChem - while ChEMBL data comes from many sources. Where those fields are:. I'll w...

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Skip to main content. Get your Wikispaces Classroom now:. The easiest way to manage your class. Miscellaneous Web Services enabling Open Notebook Science projects. Conversion from common name to CSID, density, MW, SMILES ( sheet. CSID to Experimental Melting Point MP ( C) via url ( example. Linear regression service - data passed via url ( example. Cactus NCI chemical name resolver ( link. SMARTS viewer ( link. SMILES viewer for multiple molecules - DEPICT ( link. SMILES viewer - ambit ( link. Contributi...

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Zentrum für Bioinformatik: Universität Hamburg - SMARTSviewer

ZBH : Universität Hamburg. The SMARTSviewer generates a visualization of a molecular pattern that is given in form of a SMARTS [1]. Here is an example:. A SMARTS describing a pattern with an azo group. Try your own SMARTS pattern:. Or view the SMARTSviewer Interface with all options:. I agree that my queries are stored (anonymously) and may be used for debugging. The SMARTSviewer can be accessed via an automatic url interface, click here for usage information:.

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