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A graph-convolutional neural network model for the prediction of chemical reactivity

Crossref DOI link: https://doi.org/10.1039/C8SC04228D

Published Online: 2019

Update policy: https://doi.org/10.1039/rsc_crossmark_policy

Authors

Coley, Connor W. https://orcid.org/0000-0002-8271-8723
Jin, Wengong

Rogers, Luke

Jamison, Timothy F. https://orcid.org/0000-0002-8601-7799
Jaakkola, Tommi S.

Green, William H. https://orcid.org/0000-0003-2603-9694
Barzilay, Regina

Jensen, Klavs F. https://orcid.org/0000-0001-7192-580X
Funding

Funding for this research was provided by:

Defense Advanced Research Projects Agency (ARO W911NF-16-2-0023)

National Science Foundation (1122374)
License Information

Version of Record valid from 2018-11-26
More Information

SIMILARITY CHECK

: This document is Similarity Check deposited

RELATED DATA

: Supplementary Information

IDENTIFIERS

: Connor W. Coley (ORCID)

: Timothy F. Jamison (ORCID)

: William H. Green (ORCID)

: Klavs F. Jensen (ORCID)

: Klavs F. Jensen (ResearcherID)

PEER REVIEW METHOD

: Single-blind

PUBLICATION HISTORY

: Received 22 September 2018; Accepted 23 November 2018; Accepted Manuscript published 26 November 2018; Advance Article published 4 December 2018; Version of Record published 2 January 2019