Solvated ensemble averaging in the calculation of partial atomic charges.
Maral BasmaS. SundaraDilek ÇalganTereza VernaliRobert J. WoodsPublished in: J. Comput. Chem. (2001)
Keyphrases
- ensemble methods
- ensemble learning
- neural network
- training data
- calculation method
- multi class
- majority voting
- training set
- learning algorithm
- search algorithm
- data sets
- website
- base classifiers
- information systems
- regression problems
- artificial intelligence
- making decisions
- ensemble classification
- neural network ensemble