CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning.
Colin A. GrambowHayley WeirChristian N. CunninghamTommaso BiancalaniKangway V. ChuangPublished in: CoRR (2023)
Keyphrases
- machine learning
- decision trees
- machine learning methods
- learning algorithm
- mass spectrometry data
- ensemble methods
- pattern recognition
- machine learning algorithms
- data mining
- reinforcement learning
- inductive learning
- knowledge acquisition
- random forests
- natural language processing
- support vector machine
- knowledge representation
- active learning
- data analysis
- learning machines
- explanation based learning
- computational biology
- mass spectrometry
- tandem mass spectra
- ensemble learning
- learning models
- text classification
- computational intelligence
- supervised learning
- information extraction
- computer science
- feature selection