RosENet: Improving Binding Affinity Prediction by Leveraging Molecular Mechanics Energies with an Ensemble of 3D Convolutional Neural Networks.
Hussein Hassan-HarrirouCe ZhangThomas LemminPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- convolutional neural networks
- hiv protease
- prediction accuracy
- neural network ensemble
- ensemble methods
- convolutional network
- higher order
- drug design
- ensemble classifier
- protein function prediction
- ensemble learning
- graph cuts
- prediction model
- prediction error
- pairwise
- training data
- random forest
- prediction algorithm
- machine learning
- neural network
- random forests
- protein structure prediction
- linear support vector machines
- base classifiers
- artificial neural networks
- learning algorithm