Prediction of minimum ignition energy for combustible dust using graph neural networks and SMILES data augmentation

Author:

Shen Xiaobo,Zhang Zhiwei,Ma Yunsheng,Zou Xiong,Zhou Feng,Wang Shenghua,Bao Qifu

Funder

Key Research and Development Program of Zhejiang Province

National Natural Science Foundation of China

Science and Technology Commission of Shanghai Municipality

Zhejiang Key Laboratory of Safety Engineering and Technology

Publisher

Elsevier BV

Subject

General Chemical Engineering

Reference26 articles.

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2. Occupational Safety and Health Administration. (n.d.). Combustible Dust: An Explosion Hazard - Overview. Retrieved from https://www.osha.gov/combustible-dust.

3. Wikipedia contributors. (2021, November 29). Dust explosion. In Wikipedia, The Free Encyclopedia. Retrieved from https://en.wikipedia.org/w/index.php?title=Dust_explosion&oldid=1057857458.

4. Quantitative structure-activity relationship. (n.d.). In ScienceDirect. Retrieved March 1, 2023, from https://www.sciencedirect.com/topics/pharmacology-toxicology-and-pharmaceutical-science/quantitative-structure-activity-relationship.

5. Quantum-chemical descriptors in QSAR/QSPR studies;Karelson;Chem. Rev.,1996

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