ArticleInternational journal of molecular sciences2019
Predicting the Toxicity of Ionic Liquids toward Acetylcholinesterase Enzymes Using Novel QSAR Models.
Article in International journal of molecular sciences, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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Who cites it
8 citing papers in PubMed.
- Artificial Intelligence in the Discovery and Design of Ionic Liquids for Thermal Energy Applications.Journal of chemical information and modeling · 2026Review
- Toxicological Evaluation of Ionic Liquids: QSAR Approach for Acetylcholinesterase Enzyme Inhibition.Chemical research in toxicology · 2026Article
- Subcellular effects of imidazolium-based ionic liquids with varying anions on the marine bivalveHeliyon · 2024Article
- Density Functional Method Study on the Cooperativity of Intermolecular H-bonding and π-πMolecules (Basel, Switzerland) · 2022Article
- Ionic Liquids-A Review of Their Toxicity to Living Organisms.International journal of molecular sciences · 2021Review
- A review on machine learning algorithms for the ionic liquid chemical space.Chemical science · 2021Review
- Ionic Liquids Toxicity-Benefits and Threats.International journal of molecular sciences · 2020Review
- Integrative Assessment of Mixture Toxicity of Three Ionic Liquids on Acetylcholinesterase Using a Progressive Approach from 1D Point, 2D Curve, to 3D Surface.International journal of molecular sciences · 2019Article
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Limited information on the potential toxicity of ionic liquids (ILs) becomes the bottleneck that creates a barrier in their large-scale application. In this work, two quantitative structure-activity relationships (QSAR) models were used to evaluate the toxicity of ILs toward the acetylcholinesterase enzyme using multiple linear regression (MLR) and extreme learning machine (ELM) algorithms. The structures of 57 cations and 21 anions were optimized using quantum chemistry calculations. The electrostatic potential surface area (
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Registered trials
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