Insight into the Mechanism of Machine Learning Models for Predicting Ionic Liquids Toxicity Based on Molecular Structure Descriptors

The development and application of functionalized ionic liquids (ILs) are currently hot topics in chemical engineering. However, research on ILs toxicity is significantly lagging behind studies on their physical properties and applications. This study begins with the construction of ILs toxicity mod...

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Veröffentlicht in:	ACS sustainable chemistry & engineering 2024-12, Vol.12 (49), p.17749-17760
Hauptverfasser:	Zhang, Runqi, Wang, Yu, Zhu, Wenguang, Xin, Leilei, Qi, Jianguang, Wang, Yinglong, Zhu, Zhaoyou, Cui, Peizhe
Format:	Artikel
Sprache:	eng
Schlagworte:	algorithms carbon Daphnia magna green chemistry oxygen quantitative structure-activity relationships toxicity
Online-Zugang:	Volltext
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