NMR chemical shifts in MNDO approximation: Parameters and results for H, C, N, and O.
Serguei PatchkovskiiWalter ThielPublished in: J. Comput. Chem. (1999)
Keyphrases
- input parameters
- update equations
- maximum likelihood
- parameter values
- protein structure
- sensitivity analysis
- parameter space
- approximation algorithms
- error bounds
- approximation error
- parameter selection
- maximum likelihood estimation
- parameter settings
- real time
- parameter estimation
- least squares
- probabilistic model
- control system
- high resolution
- artificial neural networks
- genetic algorithm