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Accelerating the Design of High-Energy-Density Hydrocarbon Fuels by Learning from the Data

In the ZINC20 database, with the aid of maximum substructure searches, common substructures were obtained from molecules with high-strain-energy and combustion heat values, and further provided domain knowledge on how to design high-energy-density hydrocarbon (HEDH) fuels. Notably, quadricyclane and...

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Detalles Bibliográficos
Autores principales:	Wen, Linyuan, Shan, Shiqun, Lai, Weipeng, Shi, Jinwen, Li, Mingtao, Liu, Yingzhe, Liu, Maochang, Zhou, Zhaohui
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Communication
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10647593/ https://www.ncbi.nlm.nih.gov/pubmed/37959780 http://dx.doi.org/10.3390/molecules28217361

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