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

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.

Editorial

Semion K Saikin et al. Expert Opin Drug Discov. 2019 Jan.

. 2019 Jan;14(1):1-4.

doi: 10.1080/17460441.2019.1546690. Epub 2018 Nov 29.

Semion K Saikin^{1

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

3

4}

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.

Erratum in

Correction.
[No authors listed] [No authors listed] Expert Opin Drug Discov. 2019 Dec;14(12):1328. doi: 10.1080/17460441.2019.1667098. Epub 2019 Sep 18. Expert Opin Drug Discov. 2019. PMID: 31530038 No abstract available.

No abstract available

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