Fragments-in-fragments method for efficient and reliable estimates of individual hydrogen bond energies in large molecular clusters.
Mini Bharati AhirwarMilind M. DeshmukhPublished in: J. Comput. Chem. (2023)
Keyphrases
- preprocessing
- similarity measure
- clustering method
- higher order
- experimental evaluation
- classification accuracy
- initial set
- high precision
- segmentation method
- detection method
- computationally efficient
- input data
- computational cost
- cost function
- three dimensional
- clustering algorithm
- dynamic programming
- high accuracy
- markov chain
- pairwise
- detection algorithm
- multiscale
- genetic algorithm
- high efficiency
- unsupervised clustering
- neural network