Welcome to CHEMeDATA.org

This Initiative extends the concept developed for NMR (see nmredata.org) to other chemistry data.
The key ideas are:
1) Pack chemistry information (data files) into a zip file associated to research articles, thesis and make them publicly accessible.
2) Include the crude/original data (chemdraw files, log files from commercial software, spreadsheets, spectra in the spectrometers format, pictures, etc.)
3) Ideally, include a FAIR version of these data (tools may need to be developed to add them - typically convert .cdx into .mol, generate Jcamp spectra, etc.)
4) Include assignment data: the annotation/extracted information/scientific data obtained from these crude data (peak-picking, etc.)
5) Include metadata about the author, instruments, date, link to journal articles, etc.
ALSO
6) To be called CHEMeDATA the data will need to fulfil some requirement with respect to openness (free access of the content).

 Some aspects were presented at the IUPAC conference session 8.2 by Damien Jeannerat

Main GitHub web site

Contact : Dr. Damien Jeannerat