ChemAxon

Safari, Opera, etc.) and have two GUIs AWT and Swing. They offer access ffom/to JavaScript and are customizable by applet parameters. The signed versions of the applets support access to local files (open/save molecule files, save structure images). 

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ChemAxon Ltd, Budapest, Hungary, http //WWW. chemaxon.com /marvin. 

Xie, P., Muresan, S., Li, J. CLASS - a high-throughput cheminformatic tool for chemical library profiling. Presented at ChemAxon s User Group Meeting 2005, Budapest Hungary, http //www. chemaxon.com/forum / downloads 82.ppt. 

Marvin http / / WWW.chemaxon.com / marvin/help / index.html... 

Figure 2.34. Ligand, methotrexate bound to the protein dihydrofolate reductase visualized in MarvinSpace. Detailed view of the binding pocket. The surface is colored by residue type and it is transparent. Behind it the ball and stick representation of the protein is seen. Lengths of some hydrogen bonds are monitored. Two pharmacophore regions are also defined an acceptor (red sphere) and a hydrophobic region (large yellow sphere), these are also semi-transparent. Image courtesy of ChemAxon...

Lip inski s physical-chemical properties and ChemAxon plug-ins are incorporated for 2D and 3D viewing... 

Standardized and consistent representations of stereoisomers and stereoisomeric mixtures are similarly important for the unique representations of distinct compounds. Recent file formats such as SDF v3000 and ChemAxon Extended SMILES provide clear definition and representation of complex relative and absolute stereochemical configurations. In practice these are not widely used because many commercially available files are represented by established v2000 or SMILES formats and also because HTS compounds are mostly relatively simple low molecular weight structures. 

Bonniot, D. IUPAC naming. Presented at the ChemAxon UGM Meeting, Budapest, Hungary. Available at http //www.chemaxon.eom/forum/viewpostl2244.html 12244 (accessed December 16, 2007). 

The following subset dictionaries have been published in recent years from the Chapman Hall/ CRC database, and are intended as desktop references for the specialist worker. Now published by CRC Press each (except the older titles) consists of a large, single-volume printed dictionary accompanied by a fully searchable CD-ROM uniform in format and search capabilities (including substructure searching) with the main database. A new interface for text and structure searching by ChemAxon was released in 2009. 

ChemAxon (www.chemaxon.com/marvin) provides services such as MarvinSketch (structure and reaction query editor), MarvinSpace (3D structure visualisation), and several others. 

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