Advancing beyond the atom-centered model in additive and nonadditive molecular mechanics.
Richard W. DixonPeter A. KollmanPublished in: J. Comput. Chem. (1997)
Keyphrases
- theoretical analysis
- probabilistic model
- computational model
- management system
- monte carlo simulation
- experimental data
- parameter estimation
- three dimensional
- prior knowledge
- artificial neural networks
- high level
- feature selection
- social networks
- theoretical framework
- statistical model
- data sets
- formal model
- database