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Data for Assessing Graph-based Deep Learning Models for Predicting Flash Point

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https://figshare.com/articles/dataset/Data_for_Assessing_Graph-based_Deep_Learning_Models_for_Predicting_Flash_Point/9275210
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资源简介:
Supporting information for the following paper: Assessing Graph-based Deep Learning Models for Predicting Flash Point, Xiaoyu Sun, Nathaniel J. Krakauer, Alexander Politowicz, Wei-Ting Chen, Qiying Li, Zuoyi Li, Xianjia Shao, Alfred Sunaryo, Mingren Shen, James Wang, D. Morgan, Submitted to Molecular Informatics (2019). Please see paper and README file here for more information.
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2020-06-26
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