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Chemistry on the iPad

I’ve just spotted the first chemistry application on the iPad. It has been built using JSDraw from Chemene.



As it stands this could be used as a simple electronic notebook, but with a little effort this could form the basis of a sophisticated ELN. JSDraw is entirely written in Javascript.

What JSDraw/JsSDF can do?
  • Structure Editor, running in 3 modes: Viewer, Editor, Viewer with Popup Editor
  • Structure Table/Grid/Spreadsheet
  • Substructure, full-structure search
  • Plug-in architecture to load structure from Corporation ID, Barcode, CAS # etc.
  • Reading/writing Molfile, Rxnfile, JSDraw HTML file, SDF file, JsSDF XML file
  • Exporting SMILES, supporting stereochemistry

Interestingly Eidogen-Sertanty, Inc. recently published a new version of
iKinasePro, which uses JSDraw as the front-end to undertake structure-based queries.

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