DockOpt: A Tool for Automatic Optimization of Docking Models.

Ian S. Knight Olivier Mailhot Khanh G. Tang John J. Irwin

Published in: J. Chem. Inf. Model. (2024)

Keyphrases

complex systems
response surface
data driven
statistical model
machine learning
case study
model selection
parameter estimation
databases
statistical models
mathematical models
bayesian networks
multiscale
expert systems
semi supervised
database
optimization algorithm
neural network
experimental data
data sets