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Evaluating Performance of Drug Repurposing Technologies

James Schuler, View ORCID ProfileZackary Falls, William Mangione, Matthew L. Hudson, Liana Bruggemann, Ram Samudrala
doi: https://doi.org/10.1101/2020.12.03.410274
James Schuler
1Department of Biomedical Informatics, Jacobs School of Medicine and Biomedical Sciences, University at Buffalo, Buffalo, NY
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Zackary Falls
1Department of Biomedical Informatics, Jacobs School of Medicine and Biomedical Sciences, University at Buffalo, Buffalo, NY
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  • ORCID record for Zackary Falls
William Mangione
1Department of Biomedical Informatics, Jacobs School of Medicine and Biomedical Sciences, University at Buffalo, Buffalo, NY
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Matthew L. Hudson
1Department of Biomedical Informatics, Jacobs School of Medicine and Biomedical Sciences, University at Buffalo, Buffalo, NY
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Liana Bruggemann
1Department of Biomedical Informatics, Jacobs School of Medicine and Biomedical Sciences, University at Buffalo, Buffalo, NY
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Ram Samudrala
1Department of Biomedical Informatics, Jacobs School of Medicine and Biomedical Sciences, University at Buffalo, Buffalo, NY
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  • For correspondence: ram@compbio.org
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Abstract

Drug repurposing technologies are growing in number and maturing. However, comparison to each other and to reality is hindered due to lack of consensus with respect to performance evaluation. Such comparability is necessary to determine scientific merit and to ensure that only meaningful predictions from repurposing technologies carry through to further validation and eventual patient use. Here, we review and compare performance evaluation measures for these technologies using version 2 of our shotgun repurposing Computational Analysis of Novel Drug Opportunities (CANDO) platform to illustrate their benefits, drawbacks, and limitations. Understanding and using different performance evaluation metrics ensures robust cross platform comparability, enabling us to continuously strive towards optimal repurposing by decreasing time and cost of drug discovery and development.

Competing Interest Statement

The authors have declared no competing interest.

Copyright 
The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY-NC-ND 4.0 International license.
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Posted December 03, 2020.
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Evaluating Performance of Drug Repurposing Technologies
James Schuler, Zackary Falls, William Mangione, Matthew L. Hudson, Liana Bruggemann, Ram Samudrala
bioRxiv 2020.12.03.410274; doi: https://doi.org/10.1101/2020.12.03.410274
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Evaluating Performance of Drug Repurposing Technologies
James Schuler, Zackary Falls, William Mangione, Matthew L. Hudson, Liana Bruggemann, Ram Samudrala
bioRxiv 2020.12.03.410274; doi: https://doi.org/10.1101/2020.12.03.410274

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