Prediction of Molecular Substructure Using Mass Spectral Data Based on Metric Learning.
Zhi-Shui ZhangLi-Li CaoJun ZhangPublished in: ICIC (3) (2014)
Keyphrases
- euclidean distance
- metric learning
- distance metric
- spectral data
- distance function
- dimensionality reduction
- principal components
- distance measure
- mass spectrometry
- similarity measure
- pairwise
- feature vectors
- partial least squares
- feature space
- remote sensing
- hyperspectral
- support vector machine
- multi task
- prediction model
- machine learning
- unsupervised learning
- learning tasks
- high throughput
- reinforcement learning
- pattern recognition
- neural network
- drug discovery
- multi class
- recommender systems