Closed-loop discovery platform integration is needed for artificial intelligence to make an impact in drug discovery

Expert Opin Drug Discov. 2019 Jan;14(1):1-4. doi: 10.1080/17460441.2019.1546690. Epub 2018 Nov 29.

Authors

Semion K Saikin^{1

2}, Christoph Kreisbeck¹, Dennis Sheberla², Jill S Becker², Aspuru-Guzik A^{2

3

4}

Affiliations

¹ a Department of Chemistry and Chemical Biology , Harvard University , Cambridge , MA , USA.
² b Kebotix Inc ., Cambridge , MA , USA.
³ c Department of Chemistry and Department of Computer Science , University of Toronto , Toronto , Ontario , Canada.
⁴ d Canadian Institute for Advanced Research (CIFAR) Senior Fellow , Toronto , Ontario , Canada.

PMID: 30488727
DOI: 10.1080/17460441.2019.1546690

No abstract available

Keywords: Inverse design; closed loop; generative adversarial network; machine learning; variational autoencoder.

Publication types

Editorial
Research Support, Non-U.S. Gov't

MeSH terms

Artificial Intelligence*
Drug Development / methods*
Drug Discovery / methods*
Humans
Machine Learning