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Updated: Feb 8, 2026

Pretreatment of Lignocellulosic Biomass with Low-cost Ionic Liquids
Published on: August 10, 2016
Chemoinformatic Approach to Assess Toxicity of Ionic Liquids
Anita Sosnowska1, Anna Rybinska-Fryca1, Maciej Barycki1
1Laboratory of Environmental Chemometrics, Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308, Gdansk, Poland.
Abstract:
Chemoinformatic methods, such as multivariable explorative techniques and quantitative structure-activity relationship (QSAR) modeling, allow for discovering relationships between the activity and the structure of chemical compounds. These techniques can be applied, as preliminary screening methods for designing and/or selecting new compounds with defined activity.Here we describe step by step how to preliminarily screen ionic liquids (a set of 13 ILs) and assess their cytotoxic activity against leukemia cell line IPC-81 as well as ILs' potential to inhibit acetylcholinesterase enzyme using the TRIC method (toxicity ranking index of cations) combined with the QSAR approach.
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