A tree-based method for the rapid screening of chemical fingerprints.
Thomas Greve KristensenJesper Buus NielsenChristian N. S. PedersenPublished in: Algorithms Mol. Biol. (2010)
Keyphrases
- experimental evaluation
- detection method
- high accuracy
- similarity measure
- classification method
- pairwise
- synthetic data
- significant improvement
- machine learning
- computational cost
- fully automatic
- high precision
- optimization algorithm
- computationally efficient
- dynamic programming
- cost function
- prior knowledge
- computational complexity
- objective function
- edge detection
- input data
- model selection
- preprocessing
- theoretical analysis
- detection algorithm
- multiscale
- segmentation method
- training data
- image segmentation
- learning algorithm