The PubChem chemical structure sketcher
نویسندگان
چکیده
منابع مشابه
The PubChem chemical structure sketcher
PubChem is an important public, Web-based information source for chemical and bioactivity information. In order to provide convenient structure search methods on compounds stored in this database, one mandatory component is a Web-based drawing tool for interactive sketching of chemical query structures. Web-enabled chemical structure sketchers are not new, being in existence for years; however,...
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The input of chemical structures in the context of Web applications is a well-known interface problem in chemical information processing. Currently, this is typically achieved by using either Java applets, or platformand browser-specific plug-ins both approaches require installation of custom software components which may not be possible in many use cases. Pure client-side JavaScript solutions ...
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The PubChem chemical structure and bioassay database (http://pubchem.ncbi.nlm.nih.gov) has established itself as one of the premier information sources for chemical structures and assay data accessible via the Internet. PubChem provides a convenient interactive Web interface for the execution and result display of standard structure and text-based queries. However, the capabilities for formulat...
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BACKGROUND Developing structure-activity relationships (SARs) of molecules is an important approach in facilitating hit exploration in the early stage of drug discovery. Although information on millions of compounds and their bioactivities is freely available to the public, it is very challenging to infer a meaningful and novel SAR from that information. RESULTS Research discussed in the pres...
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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2009
ISSN: 1758-2946
DOI: 10.1186/1758-2946-1-20