Systematic search for pairwise dependencies of torsion angles.
Christin SchärferTanja Schulz-GaschMatthias RareyPublished in: J. Cheminformatics (2012)
Keyphrases
- systematic search
- pairwise
- constraint propagation
- search algorithm
- search methods
- hill climbing
- similarity measure
- free energy
- belief propagation
- semi supervised
- neural network
- markov random field
- spectral clustering
- planar curves
- simulated annealing
- constraint programming
- supervised learning
- combinatorial problems
- state space
- machine learning