Site-specific graph neural network for predicting protonation energy of oxygenate molecules

18 Sep 2019Romit MaulikRajeev Surendran ArrayPrasanna Balaprakash

Bio-oil molecule assessment is essential for the sustainable development of chemicals and transportation fuels. These oxygenated molecules have adequate carbon, hydrogen, and oxygen atoms that can be used for developing new value-added molecules (chemicals or transportation fuels)... (read more)

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