Welcome to the NMR Fingerprinting tool
The NMR Fingerprinting tool allows the automatic identification and quantification of structural groups in
unknown samples based on
1H, 13C,
and 13C DEPT NMR spectra of the sample. Please read the
tutorial before the first use of the NMR Fingerprinting
tool.
Our approach is based on the machine-learning concept of support vector classification, which was trained here on thousands of labeled pure-component NMR spectra from open-source data banks, namely the Biological Magnetic Resonance Bank and the NMRShiftDB.
More details about the training of the methods are described in our paper.
Every user agrees to cite the NMR Fingerprinting tool upon the usage as follows:
Our approach is based on the machine-learning concept of support vector classification, which was trained here on thousands of labeled pure-component NMR spectra from open-source data banks, namely the Biological Magnetic Resonance Bank and the NMRShiftDB.
More details about the training of the methods are described in our paper.
Every user agrees to cite the NMR Fingerprinting tool upon the usage as follows:
T. Specht, J. Arweiler, J. Stüber, K. Münnemann, H. Hasse, F. Jirasek: Automated Nuclear Magnetic
Resonance
Fingerprinting of Mixtures, Magnetic Resonance in Chemistry 62 (2024) 286-297, DOI: 10.1002/mrc.5381.
