TY  - GEN
A1  - Lisec, Jan
T1  - fioRa
N2  - R package providing a wrapper for the python module 'FIORA' as well as a 'shiny'-App to facilitate data processing and visualization. 'FIORA' allows to predict Mass-Spectra based on the SMILES code of chemical compounds. It is described in the Nature Communications article by Nowatzky et al. (2025).
KW  - Mass Spectrometry
PY  - 2025
UR  - https://github.com/cran/fiora/
PB  - GitHub
CY  - San Francisco
AN  - OPUS4-64663
LA  - eng
AD  - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER  -