Published September 20, 2018
| Version NORMAN-SLE-S32.0.1.5
Dataset
Open
S32 | REACH2017 | >68,600 REACH Chemicals
Authors/Creators
- 1. Environmental Institute
-
2.
National and Kapodistrian University of Athens
Description
A 2017 list of REACH chemicals including InChIKeys and spectral information, provided by N. Alygizakis and J. Slobodnik, EI. Dataset DOI: 10.5281/zenodo.2653020.
Update 14 Nov 2019: added CSV. Feb 6th, 2020: edited SMILES in CSV to remove \\ (fixed_SMILES column); edited more SMILES. Nov 6, 2020: fixed entry for (2H5)benzoic acid based on feedback from PubChem. 17 July 2022: more SMILES fixes (CSV only).
Notes
This dataset is currently in an uncurated state ...