With the increased used of mobile phone and tablets, molecular modeling tools designed to work on mobile devices are also catching up.
Here are some of the most promising free mobile apps for molecular modeling and data analysis.
1. For a quick search on a molecular structure of interest there is the ChemSpider Mobile which allows anyone to search the Chemspider chemical database, provided by the Royal Society of Chemistry. Structures can be searched by structure or by name, and browsed within the app.
2. To build/draw a structure of a molecule one can use the Mobile Molecular DataSheet, a versatile mobile app with not only structure drawing (and with high quality graphics) capabilities, but also document preparation, data management, and chemical property calculation abilities as well.
3. After obtaining the structure of the desired molecule, one can use the WebMo mobile app to
run an optimization using molecular mechanics. The app can also show Huckel molecular orbitals, electron density, and electrostatic potential and check for the IR, UV-VIS, NMR, and mass spectra from external databases.
4. If one wants instead to perform Monte Carlo simulation and analysis the Atomdroid is the mobile app of choice. It can be used also as a molecular viewer/builder and it has trajectory analysis and viewing capabilities as well.
5. For the data analysis of the all the gathered information there is the DataAnalysis mobile app which can be used for plotting and fitting of all types of data as x, y pairs. It can also perform analyses of various types of data by curve fitting, value prediction using a standard curve, etc.