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)

PDF Abstract

Code


No code implementations yet. Submit your code now

Results from the Paper


  Submit results from this paper to get state-of-the-art GitHub badges and help the community compare results to other papers.

Methods used in the Paper


METHOD TYPE
🤖 No Methods Found Help the community by adding them if they're not listed; e.g. Deep Residual Learning for Image Recognition uses ResNet