Random Forest Refinement of Pairwise Potentials for Protein-Ligand Decoy Detection.
Jun PeiZheng ZhengHyunji KimLin Frank SongSarah WalworthMargaux R. MerzKenneth M. Merz Jr.Published in: J. Chem. Inf. Model. (2019)
Keyphrases
- random forest
- pairwise
- random forests
- decision trees
- drug design
- feature set
- fold cross validation
- cancer classification
- higher order
- semi supervised
- virtual screening
- multi label
- ensemble methods
- protein structure
- multi class
- ensemble learning
- protein sequences
- drug discovery
- decision tree learning algorithms
- machine learning
- data sets
- markov random field
- similarity measure
- base classifiers
- protein structure prediction
- support vector