MoleculeNet: A Benchmark for Molecular Machine Learning.

Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes Caleb Geniesse Aneesh S. Pappu Karl Leswing Vijay S. Pande

Published 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