Blind prediction of SAMPL4 cucurbit[7]uril binding affinities with the mining minima method.
Hari S. MuddanaJian YinNeil V. SapraAndrew T. FenleyMichael K. GilsonPublished in: J. Comput. Aided Mol. Des. (2014)
Keyphrases
- pairwise
- high accuracy
- high precision
- experimental evaluation
- synthetic data
- neural network
- detection method
- prediction model
- similarity measure
- segmentation method
- prior knowledge
- significant improvement
- computational cost
- prediction accuracy
- clustering method
- classification accuracy
- energy function
- support vector machine svm
- model selection
- support vector machine
- probabilistic model
- cost function
- objective function
- bayesian networks
- machine learning