Abstract: Ionic liquids (ILs) are widely used in diverse scientific and industrial fields, yet many of these substances exhibit significant cytotoxicity, challenging their classification as “green solvents”. To facilitate access to established experimental cytotoxicity data on ILs, we present ILToxDB - a curated, open-access database containing 3844 cytotoxicity assay entries for 1224 ILs tested across 154 cell lines and extracted from 152 scientific publications. Each entry includes detailed experimental context, such as the assay type, cell line characteristics, and compound structure (including SMILES), allowing flexible search and analysis. ILToxDB offers a user-friendly web interface and supports advanced structure-based queries. The database is designed to support toxicological assessment, green chemistry development, and machine learning applications for safer IL design. ILToxDB is freely available at https://iltox.ananikovlab.ai/.

Cite: Toukach P.V. , Arakelyan L.A. , Egorova K.S. , Ananikov V.P.
ILToxDB: A Database on Cytotoxicity of Ionic Liquids
Environmental Science & Technology Letters. 2025. V.12. N12. P.1631–1635. DOI: 10.1021/acs.estlett.5c00860 WOS Scopus OpenAlex

Identifiers:

Web of science:	WOS:001612298100001
Scopus:	2-s2.0-105024905962
OpenAlex:	W4416114514

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