Deep learning for computational chemistry.

Garrett B. Goh Nathan O. Hodas Abhinav Vishnu

Published in: J. Comput. Chem. (2017)

Keyphrases

deep learning
computational chemistry
unsupervised learning
machine learning
unsupervised feature learning
restricted boltzmann machine
mental models
weakly supervised
feature selection
viewpoint
data mining
feature extraction
active learning
information extraction
deep architectures