Shen, Cynthia https://orcid.org/0000-0003-3266-2634
Krenn, Mario https://orcid.org/0000-0003-1620-9207
Eppel, Sagi
Aspuru-Guzik, Alán https://orcid.org/0000-0002-8277-4434
Funding for this research was provided by:
Canada 150 Research Chair Program
Anders G Froseth
Tata Steel
Austrian Science Fund
Office of Naval Research
Article Title: Deep molecular dreaming: inverse machine learning for de-novo molecular design and interpretability with surjective representations
Journal Title: Machine Learning: Science and Technology
Article Type: paper
Copyright Information: © 2021 The Author(s). Published by IOP Publishing Ltd
Publication dates
Date Received: 2021-02-20
Date Accepted: 2021-06-09
Online publication date: 2021-07-13