Journal: Journal of Cheminformatics
Article Title: WikiHyperGlossary (WHG): an information literacy technology for chemistry documents
doi: 10.1186/s13321-015-0073-7
Figure Lengend Snippet: A flowchart depicting the process of presenting a 3D molecule in the JSmol applet when a term with a qualifying ID is selected. ChemEd DL Models 360 database is initially queried and if the chemical is found, the enhanced JSmol is displayed. In the event that the information requested for a chemical term is not found, the WHG has the ability to generate its own structure file from the chemical ID. Open Babel (run internally at ChemSpider) and Balloon, open source chemistry resources, are used to create a mol2 file on the fly. All generated mol2 files are saved on the WHG server to avoid having to create the same file more than once
Article Snippet: Some of this information is extracted from specialized databases that are not directly accessed by common search engines, such as chemical structures in ChemEd DL Models 360 [ ].
Techniques: Generated