Concepedia

Machine learning assisted QSPR model for prediction of ionic liquid’s refractive index and viscosity: The effect of representations of ionic liquid and ensemble model development

Ya Sun, Minchun Chen, Yongmei Zhao, Zhenfeng Zhu, Han Xing, Peng Zhang, Xiaojian Zhang, Yi Ding

Journal of Molecular Liquids · 2021 · 49 citations · 29 references

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29

XGBoost

2016 · 44.2K citations · Full text

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Extended-Connectivity Fingerprints

David Rogers, Mathew Hahn · Journal of Chemical Information and Modeling · 2010 · 7.2K citations

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Practical Bayesian Optimization of Machine Learning Algorithms

Jasper Snoek, Hugo Larochelle, Ryan P. Adams · arXiv (Cornell University) · 2012 · 5.6K citations · Full text

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Ionic liquids as electrolytes

Maciej Galiński, Andrzej Lewandowski, Izabela Stępniak · Electrochimica Acta · 2006 · 2.6K citations

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Mordred: a molecular descriptor calculator

Hirotomo Moriwaki, Yu‐Shi Tian, Norihito Kawashita et al. · Journal of Cheminformatics · 2018 · 1.4K citations · Full text