A machine learning-based QSAR model reveals important molecular features for understanding the potential inhibition mechanism of ionic liquids to acetylcholinesterase
Author:
Funder
National Natural Science Foundation of China
Publisher
Elsevier BV
Reference45 articles.
1. A review of recent advances towards the development of QSAR models for toxicity assessment of ionic liquids;Abramenko;J. Hazard. Mater.,2020
2. Prediction-inspired intelligent training for the development of classification read-across structure-activity relationship (c-RASAR) models for organic skin sensitizers: assessment of classification error rate from novel similarity coefficients;Banerjee;Chem. Res. Toxicol.,2023
3. Predicting acetyl cholinesterase enzyme inhibition potential of ionic liquids using machine learning approaches: an aid to green chemicals designing;Basant;J. Mol. Liq.,2015
4. Acetylcholinesterase is required for neuronal and muscular development in the zebrafish embryo;Behra;Nat. Neurosci.,2002
5. Random forests;Breiman;Mach. Learn.,2001
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