Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host-guest binding: II. regression and dielectric constant.
Xiao LiuLei ZhengYalong CongZhihao GongZhixiang YinJohn Z. H. ZhangZhirong LiuZhaoxi SunPublished in: J. Comput. Aided Mol. Des. (2022)
Keyphrases
- comprehensive evaluation
- free energy
- endpoints
- dielectric constant
- upper bound
- belief propagation
- competitive learning
- fixed point
- simulation software
- regression model
- line segments
- posterior distribution
- waveguide
- electric field
- microstrip
- approximate inference
- model selection
- probability distribution
- higher order
- latent variables
- parameter estimation
- graph cuts
- patch antenna
- image processing