Update: 1H NMR (Productivity)
Update: 1H NMR (Productivity)
1H NMR 2.5
Device: iOS Universal
Category: Productivity
Description:
App to predict 1H NMR spectrum: draw a structure to see its spectrum. The accuracy of the algorithm is about 0.21 ppm (RMSD=0.31 ppm) obtained on a large independent dataset.
– Instantly re-calculate the spectrum while changing the structure;
– Email PDF report;
– Zoom in structure (important for iPhone users);
– Option to display chemical shift values on structure;
– Simple clean interface.
The prediction algorithm is derived by:
K. A. Blinov, E. D. Smurnyy, T. S. Churanova, M. E. Elyashberg, A. J. Williams, Chemom. Intell. Lab. Syst. 2009, 97, 91
What’s New
Integration with the Files app added.
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