Searching for Closely Related Ligands with Different Mechanisms of Action Using Machine Learning and Mapping Algorithms.
Jenny BalferMartin VogtJürgen BajorathPublished in: J. Chem. Inf. Model. (2013)
Keyphrases
- closely related
- machine learning
- learning algorithm
- computational cost
- machine learning algorithms
- computational complexity
- machine learning approaches
- machine learning methods
- significant improvement
- semi supervised
- worst case
- principal component analysis
- optimization problems
- information extraction
- image segmentation
- search strategies
- learning models
- computer vision