All NMR
iOS app by Kirill Blinov. Education · Kirill Blinov
- Store rating
- 5 / 5
- Store rating count
- 3
- Download price
- Free to download
- In-app purchases
- Unknown
- Version
- 3.0
- Listing last refreshed
- 2026-09-11
View the original store listing
Store description excerpt
App to predict ¹³C and ¹H NMR spectra: draw a structure to see its spectra. The accuracy (Mean Average Error) of the algorithm is about 1.5 ppm for ¹³C and 0.21 ppm for ¹H (RMSE = 2.8 and 0.31 ppm correspondingly). - Instantly re-calculate spectra while changing structure; - Predicted spectra stored in iCloud and synchronised among all iOS devices and Mac version; - Email PDF report; - Zoom in spectrum; - Zoom in structure (important for iPhone users); - Option to display chemical shift values on structure; - Simple clean interface. The prediction algorithm is a combination of neural network and spheric codes based algorithms.
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