Dataset Construction to Explore Chemical Space with 3D Geometry and Deep Learning.

Jianing Lu Song Xia Jieyu Lu Yingkai Zhang

Published in: J. Chem. Inf. Model. (2021)

Keyphrases

deep learning
unsupervised learning
restricted boltzmann machine
machine learning
weakly supervised
mental models
unsupervised feature learning
decision trees
multiscale
decision makers
online learning
topic models
learning strategies
deep architectures