https://bioenergy-kimlab.org/wp-content/uploads/2021/11/hovpred.png 220 216 Academic Web Pages http://bioenergy-kimlab.org/wp-content/uploads/2021/02/colorado-logo.png Academic Web Pages2021-11-23 19:07:012021-11-23 19:07:01Heat of Vaporization prediction (HoVpred)
Heat of Vaporization prediction (HoVpred)
The heat of vaporization (HoV) is one of the key fuel properties determining particulate matter emission and antiknock characteristics. HoVpred performs a graph attention network-based HoV prediction of fuel candidates at a given temperature by using only 2D structural information of a molecule. The code and model are available via GitHub.