Coverage Score: A Model Agnostic Method to Efficiently Explore Chemical Space.
Daniel J. WoodwardAnthony R. BradleyWillem P. van HoornPublished in: J. Chem. Inf. Model. (2022)
Keyphrases
- mathematical model
- statistical model
- probabilistic model
- sensitivity analysis
- input data
- study proposes
- parameter space
- segmentation method
- regression analysis
- cost function
- closed form
- high order
- test data
- prior information
- modeling method
- energy function
- evaluation method
- detection method
- em algorithm
- hybrid method
- optimization model
- bp neural network
- objective function
- prediction model
- network model
- bayesian framework
- monte carlo simulation
- reconstruction method
- score function
- optimization method
- classification method
- computational model
- theoretical analysis
- support vector machine
- autoregressive
- spatial structure
- analytical model
- prior knowledge
- significant improvement
- evaluation model
- dynamic programming
- markov model
- probability distribution
- hybrid model
- linear model
- parameter estimation
- linear regression
- kalman filter
- statistical methods
- high accuracy
- recognition algorithm
- tree structure
- preprocessing
- neural network
- previously computed