MoleculeNet: A Benchmark for Molecular Machine Learning.
Zhenqin WuBharath RamsundarEvan N. FeinbergJoseph GomesCaleb GeniesseAneesh S. PappuKarl LeswingVijay S. PandePublished in: CoRR (2017)
Keyphrases
- machine learning
- data mining
- information extraction
- machine learning algorithms
- learning algorithm
- feature selection
- artificial intelligence
- computer vision
- unsupervised learning
- active learning
- text mining
- supervised learning
- supervised machine learning
- inductive learning
- machine learning methods
- computational intelligence
- natural language
- pattern recognition
- decision trees
- natural language processing
- data sets
- text classification
- knowledge acquisition
- genetic algorithm
- case study
- comparative analysis
- explanation based learning
- information systems