Prediction of Membrane Permeation of Drug Molecules by Combining an Implicit Membrane Model with Machine Learning.
Stephanie A. BrockeAlexandra DegenAlexander D. MacKerell Jr.Bercem DutagaciMichael FeigPublished in: J. Chem. Inf. Model. (2019)
Keyphrases
- statistical model
- machine learning
- prediction model
- probabilistic model
- mathematical model
- computational model
- bayesian networks
- knowledge base
- objective function
- pattern recognition
- formal model
- autoregressive
- data sets
- learning models
- theoretical framework
- prediction accuracy
- natural language processing
- similarity measure
- social networks