Application of generative autoencoder in de novo molecular design.

Thomas Blaschke Marcus Olivecrona Ola Engkvist Jürgen Bajorath Hongming Chen

Published in: CoRR (2017)

Keyphrases

real time
decision support
generative model
computer aided
engineering design
design methodology
neural network
machine learning
case study
three dimensional
probabilistic model
data driven
design process
modular design