A selective method for optimizing ensemble docking-based experiments on an InhA Fully-Flexible receptor model.
Renata De ParisChristian Vahl QuevedoDuncan D. RuizFuria GarganoOsmar Norberto de SouzaPublished in: BMC Bioinform. (2018)
Keyphrases
- statistical model
- probabilistic model
- mathematical model
- cost function
- sensitivity analysis
- similarity measure
- evaluation method
- bp neural network
- test data
- hybrid method
- linear model
- prediction model
- multiple models
- theoretical analysis
- objective function
- hybrid model
- input data
- network model
- high order
- modeling method
- em algorithm
- closed form
- prior knowledge
- classification method
- study proposes
- parameter estimation
- monte carlo simulation
- neural network
- optimization method
- linear regression
- parameter space
- prior information
- artificial neural networks
- kalman filter
- high accuracy
- markov model
- evaluation model
- one class support vector machines
- autoregressive
- tree structure
- cross validation
- energy function
- training set
- training data
- learning algorithm