Towards a transferable nonelectrostatic model for continuum solvation: The electrostatic and nonelectrostatic energy correction model.
Dario VassettiFrédéric LabatPublished in: J. Comput. Chem. (2022)
Keyphrases
- mathematical model
- formal model
- experimental data
- least squares
- computational model
- data sets
- computer vision
- sensitivity analysis
- conceptual model
- probabilistic model
- statistical model
- theoretical framework
- process model
- network model
- database
- em algorithm
- management system
- cost function
- objective function
- reinforcement learning
- high level
- case study