Calculation of distribution coefficients in the SAMPL5 challenge from atomic solvation parameters and surface areas.
Diogo Santos-MartinsPedro Alexandrino FernandesMaria João RamosPublished in: J. Comput. Aided Mol. Des. (2016)
Keyphrases
- statistical distribution
- three dimensional
- normal distribution
- density function
- probability density function
- maximum likelihood
- linear relationship
- parameter values
- linear combination
- surface roughness
- power spectral
- parameter settings
- surface reconstruction
- data distribution
- steady state
- surface orientation
- shape parameters
- maximum likelihood estimates
- wavelet coefficients
- maximum likelihood estimator
- lognormal distribution
- flat areas