PubChem3D: conformer ensemble accuracy.
Sunghwan KimEvan BoltonStephen H. BryantPublished in: J. Cheminformatics (2013)
Keyphrases
- high accuracy
- ensemble pruning
- prediction accuracy
- neural network
- artificial intelligence
- computational cost
- precision and recall
- feature selection
- error rate
- highly accurate
- random forests
- ensemble members
- high precision
- computational efficiency
- correlation coefficient
- ensemble methods
- ensemble learning
- roc curve
- accuracy rate
- data sets