: An integrated graph theoretic and data mining tool to explore solvent organization in molecular simulation.
Barbara Logan MooneyL. René CorralesAurora E. ClarkPublished in: J. Comput. Chem. (2012)
Keyphrases
- graph theoretic
- data mining tools
- data mining
- graph theory
- hamiltonian path
- information systems
- visual data mining
- random graphs
- data mining techniques
- data mining algorithms
- machine learning
- molecular dynamics
- object oriented
- data structure
- maximal cliques
- knowledge discovery
- fuzzy association rules
- genetic algorithm
- bayesian network structure learning