Molecular machine learning with conformer ensembles.
Simon AxelrodRafael Gómez-BombarelliPublished in: Mach. Learn. Sci. Technol. (2023)
Keyphrases
- machine learning
- decision trees
- machine learning methods
- learning tasks
- ensemble methods
- inductive learning
- three dimensional
- information extraction
- machine learning algorithms
- text mining
- data mining
- text classification
- natural language processing
- support vector machine
- data sets
- learning algorithm
- artificial intelligence
- supervised machine learning
- drug discovery
- machine learning approaches
- random forests
- base classifiers
- knowledge acquisition
- learning systems
- feature selection
- statistical methods
- information retrieval
- reinforcement learning
- pattern recognition
- learning models
- ensemble learning
- natural language
- feature space
- machine learning and data mining
- active learning
- knowledge representation