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Evaluating the performance of drug-repurposing technologies

Drug-repurposing technologies are growing in number and maturing. However, comparisons to each other and to reality are hindered because of a lack of consensus with respect to performance evaluation. Such comparability is necessary to determine scientific merit and to ensure that only meaningful pre...

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Autores principales: Schuler, James, Falls, Zackary, Mangione, William, Hudson, Matthew L., Bruggemann, Liana, Samudrala, Ram
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10014214/
https://www.ncbi.nlm.nih.gov/pubmed/34400352
http://dx.doi.org/10.1016/j.drudis.2021.08.002
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author Schuler, James
Falls, Zackary
Mangione, William
Hudson, Matthew L.
Bruggemann, Liana
Samudrala, Ram
author_facet Schuler, James
Falls, Zackary
Mangione, William
Hudson, Matthew L.
Bruggemann, Liana
Samudrala, Ram
author_sort Schuler, James
collection PubMed
description Drug-repurposing technologies are growing in number and maturing. However, comparisons to each other and to reality are hindered because of a 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 continue to strive toward optimal repurposing by decreasing the time and cost of drug discovery and development.
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spelling pubmed-100142142023-03-14 Evaluating the performance of drug-repurposing technologies Schuler, James Falls, Zackary Mangione, William Hudson, Matthew L. Bruggemann, Liana Samudrala, Ram Drug Discov Today Article Drug-repurposing technologies are growing in number and maturing. However, comparisons to each other and to reality are hindered because of a 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 continue to strive toward optimal repurposing by decreasing the time and cost of drug discovery and development. 2022-01 2021-08-13 /pmc/articles/PMC10014214/ /pubmed/34400352 http://dx.doi.org/10.1016/j.drudis.2021.08.002 Text en https://creativecommons.org/licenses/by/4.0/This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) ).
spellingShingle Article
Schuler, James
Falls, Zackary
Mangione, William
Hudson, Matthew L.
Bruggemann, Liana
Samudrala, Ram
Evaluating the performance of drug-repurposing technologies
title Evaluating the performance of drug-repurposing technologies
title_full Evaluating the performance of drug-repurposing technologies
title_fullStr Evaluating the performance of drug-repurposing technologies
title_full_unstemmed Evaluating the performance of drug-repurposing technologies
title_short Evaluating the performance of drug-repurposing technologies
title_sort evaluating the performance of drug-repurposing technologies
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10014214/
https://www.ncbi.nlm.nih.gov/pubmed/34400352
http://dx.doi.org/10.1016/j.drudis.2021.08.002
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