Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms.
Connie W. GaoJoshua W. AllenWilliam H. Green Jr.Richard H. WestPublished in: Comput. Phys. Commun. (2016)
Keyphrases
- automatic construction
- chemical reaction
- mechanism design
- chemical reactions
- monte carlo
- incentive compatible
- strategy proof
- video sequences
- chemical compounds
- database
- building blocks
- cooperative
- learning mechanism
- drug discovery
- website
- selection mechanism
- short term memory
- information systems
- neural network
- data sets