Sunday, 5 December 2010
Having newly acquired an IPad, the first thing I did was download some useful apps for it that I already have on my iPhone. I then began to look for cheminformatics apps that might be useful as part of my work, and came across "Mobile Molecular Datasheets". This is an app that allows a user to view and edit chemical structures on the IPad. More details on the app can be found at: molmatinfo.com. The app is developed by Molecular Materials Informatics and was last updated on the 2nd of December 2010. It is supported on iOS4.2+ and is 1.9mb to download. It does however cost £8.99 (so not the cheapest of apps).
The molecules are essentially organized into a collection of data sheets. They can be shared or sent via email. The current formats supported are Mol and SDF files. The app has the advantage that it can be integrated into workflows.
Mobile Molecular Datasheets has support for:
1. New data sheets of molecules.
2. New reactions.
3. New molecule templates. Examples of templates include: large rings, crown ethers, multi-dentate ligands cage structures, amino acids, cage complexes, biomolecules and saccharides.
4. A web service.
If anyone has any experience with additional cheminformatics IPad or iPhone apps it would be great to hear from you.