Binding propensity and selectivity of cationic, anionic, and neutral guests with model hydrophobic hosts: A first principles study.
Yenamareddy Bhargav KumarAnwesh PandeyNandan KumarG. Narahari SastryPublished in: J. Comput. Chem. (2023)
Keyphrases
- theoretical framework
- probabilistic model
- study proposes
- objective function
- formal model
- simulation study
- computational model
- mathematical model
- neural network model
- data sets
- statistical model
- anomaly detection
- markov random field
- theoretical foundation
- artificial neural networks
- prediction model
- regression analysis
- bayesian networks