遇见数据集

S32 | REACH2017 | >68,600 REACH Chemicals

收藏
Zenodo2025-11-24 更新2026-05-25 收录
官方服务:

资源简介:

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).

提供机构:
Zenodo
创建时间:
2019-04-28
二维码
社区交流群
二维码
科研交流群
商业服务