Green Research Group
Fundamental and Applied Chemical Kinetics
Search
Home
People
Current Members
Alumni
Visiting Scientists
Collaborators
Research
Software
Reaction Mechanism Generator
Arkane
Ring Polymer Molecular Dynamics
GDOC
RPMDrate
Chemprop
RMS
EMBER
EHreact
epsim
templatecorr
Publications
Videos
Biofuels and Ketones
Butanol – Improved Performance through Chemistry
Chemical/Energy Industry Collaborations
Chemistry and the Energy Industry
Integrated Gasification Combined Cycle
Predicting Chemical Reactions
Photos
Positions
Sponsors
Events
Values
White Papers
Biblio Author:
Wengong Jin
2019
Connor W. Coley
Wengong Jin
Luke Rogers
Timothy F. Jamison
Tommi S. Jaakkola
William H. Green
Regina Barzilay
Klavs F. Jensen
2019
A graph-convolutional neural network model for the prediction of chemical reactivity
Chem. Sci.
10
370-377
