Assessing Graph-based Deep Learning Models for Predicting Flash Point

Sun, XY; Krakauer, NJ; Politowicz, A; Chen, WT; Li, QY; Li, ZY; Shao, XJ; Sunaryo, A; Shen, MR; Wang, JM; Morgan, D

Sun, XY; Krakauer, NJ (corresponding author), Univ Wisconsin, Dept Mat Sci & Engn, 244 MSE, Madison, WI 53562 USA.

MOLECULAR INFORMATICS, 2020; 39 (6):

Abstract

Flash points of organic molecules play an important role in preventing flammability hazards and large databases of measured values exist, although mil......

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