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

dataset

posted on 2020-06-26, 00:52 authored by Dane MorganDane Morgan

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.

Funding

This research was primarily supported by NSF through the University of Wisconsin Materials Research Science and Engineering Center (DMR-1720415). Computations for this work were performed with support from the University of Wisconsin Center for High-Throughput Computing and Wisconsin Applied Computing Center.

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Keywords

Flash point machine learning graph-based deep learning chemometrics Organic Chemistry

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CC BY 4.0

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