Crossmark

Increasing the performance, trustworthiness and practical value of machine learning models: a case study predicting hydrogen bond network dimensionalities from molecular diagrams

Crossref DOI link: https://doi.org/10.1039/D0CE00111B

Published Online: 2020

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

Authors

Frade, Andre P. https://orcid.org/0000-0002-2158-4522
McCabe, Patrick https://orcid.org/0000-0003-2538-4920
Cooper, Richard I. https://orcid.org/0000-0001-9651-6308
Funding

Funding for this research was provided by:

Engineering and Physical Sciences Research Council (EP/L016044/1)

University of Oxford

Pfizer UK

Medical Research Council (EP/L016044/1)
License Information

Accepted Manuscript valid from 2021-03-12
More Information

SIMILARITY CHECK

: This document is Similarity Check deposited

RELATED DATA

: Supplementary Information

IDENTIFIERS

: Andre P. Frade (ORCID)

: Patrick McCabe (ORCID)

: Richard I. Cooper (ORCID)

PEER REVIEW METHOD

: Single-blind

PUBLICATION HISTORY

: Received 23 January 2020; Accepted 12 March 2020; Accepted Manuscript published 12 March 2020; Advance Article published 19 March 2020; Version of Record published 9 November 2020

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