Efficient calculation of configurational entropy from molecular simulations by combining the mutual-information expansion and nearest-neighbor methods.
Vladimir HnizdoJun TanBenjamin J. KillianMichael K. GilsonPublished in: J. Comput. Chem. (2008)
Keyphrases
- mutual information
- nearest neighbor
- information theoretic
- kullback leibler divergence
- computational cost
- data mining
- search methods
- data sets
- normalized mutual information
- empirical studies
- k nearest neighbor
- high dimensional data
- computationally expensive
- cell biology
- computationally intensive
- machine learning methods
- model selection
- image registration
- image processing
- neural network