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SAR and QSAR in Environmental Research Volume 27, 2016 - Issue 1
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Articles

Modelling the aquatic toxicity of ionic liquids by means of VolSurf in silico descriptorsFootnote

A. PaternòDipartimento di Scienze Chimiche, Università di Catania, Catania, Italy
,
G. BocciLaboratorio di Chemiometria e Chemioinformatica, Dipartimento di Chimica, Università di Perugia, Perugia, Italy
,
L. GoracciLaboratorio di Chemiometria e Chemioinformatica, Dipartimento di Chimica, Università di Perugia, Perugia, Italy
,
G. MusumarraDipartimento di Scienze Chimiche, Università di Catania, Catania, ItalyCorrespondence[email protected]
&
S. ScirèDipartimento di Scienze Chimiche, Università di Catania, Catania, Italy
Pages 1-15 | Received 17 Sep 2015, Accepted 12 Nov 2015, Published online: 04 Jan 2016

Citations (14)

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Olga Tcheremenskaia & Romualdo Benigni. (2021) Toward regulatory acceptance and improving the prediction confidence of in silico approaches: a case study of genotoxicity. Expert Opinion on Drug Metabolism & Toxicology 17:8, pages 987-1005.
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A. Paternò, G. Bocci, G. Cruciani, C. G. Fortuna, L. Goracci, S. Sciré & G. Musumarra. (2016) Cyto- and enzyme toxicities of ionic liquids modelled on the basis of VolSurf+ descriptors and their principal properties. SAR and QSAR in Environmental Research 27:3, pages 221-244.
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Articles from other publishers (12)

Grace Amabel Tabaaza, Bennet Nii Tackie-Otoo, Dzulkarnain B. Zaini, Daniel Asante Otchere & Bhajan Lal. (2023) Application of machine learning models to predict cytotoxicity of ionic liquids using VolSurf principal properties. Computational Toxicology 26, pages 100266.
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Chul-Woong Cho, Thi Phuong Thuy Pham, Yufeng Zhao, Stefan Stolte & Yeoung-Sang Yun. (2021) Review of the toxic effects of ionic liquids. Science of The Total Environment 786, pages 147309.
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Dorota Kowalska, Jakub Maculewicz, Piotr Stepnowski & Joanna Dołżonek. (2021) Ionic liquids as environmental hazards – Crucial data in view of future PBT and PMT assessment. Journal of Hazardous Materials 403, pages 123896.
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Natalia Abramenko, Leonid Kustov, Larysa Metelytsia, Vasyl Kovalishyn, Igor Tetko & Willie Peijnenburg. (2020) A review of recent advances towards the development of QSAR models for toxicity assessment of ionic liquids. Journal of Hazardous Materials 384, pages 121429.
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Amit Kumar Halder & M. Natália D. S. Cordeiro. (2019) Development of Predictive Linear and Non-linear QSTR Models for Aliivibrio Fischeri Toxicity of Deep Eutectic Solvents. International Journal of Quantitative Structure-Property Relationships 4:4, pages 50-69.
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Gong Cheng, Liming Sun & Jie Fu. (2018) Prediction of Biodegradability for Polycyclic Aromatic Hydrocarbons Using Various In Silico Modeling Methods. Archives of Environmental Contamination and Toxicology 75:4, pages 607-615.
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Giuseppe Musumarra, Alessio Paternò & Salvatore Scirè. 2017. Ionic Liquid Devices. Ionic Liquid Devices 168 195 .
Alessio Paternò, Laura Goracci, Salvatore Scire & Giuseppe Musumarra. (2017) Modeling from Theory and Modeling from Data: Complementary or Alternative Approaches? The Case of Ionic Liquids. ChemistryOpen 6:1, pages 90-101.
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Chul-Woong Cho, Stefan Stolte & Yeoung-Sang Yun. (2016) Comprehensive approach for predicting toxicological effects of ionic liquids on several biological systems using unified descriptors. Scientific Reports 6:1.
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Alessio Paterno'Francesca D'Anna, Cosimo G. Fortuna & Giuseppe Musumarra. (2016) Polarity study of ionic liquids with the solvatochromic dye Nile Red: a QSPR approach using in silico VolSurf+ descriptors. Tetrahedron 72:23, pages 3282-3287.
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Alessio Paterno’, Salvatore Scire & Giuseppe Musumarra. (2016) A QSPR approach to the ecotoxicity of ionic liquids (Vibrio fischeri) using VolSurf principal properties. Toxicology Research 5:4, pages 1090-1096.
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Alessio Paternò, Roberto Fiorenza, Salvatore Marullo, Giuseppe Musumarra & Salvatore Scirè. (2016) Prediction of ionic liquid's heat capacity by means of their in silico principal properties. RSC Advances 6:42, pages 36085-36089.
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