DeepFrag: An Open-Source Browser App for Deep-Learning Lead Optimization.

Harrison Green Jacob D. Durrant

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

Keyphrases

deep learning
open source
unsupervised learning
unsupervised feature learning
machine learning
mental models
weakly supervised
deep architectures
data sets
data mining
information retrieval
pairwise
restricted boltzmann machine