RT Journal Article
SR Electronic
T1 Evaluating Performance of Drug Repurposing Technologies
JF bioRxiv
FD Cold Spring Harbor Laboratory
SP 2020.12.03.410274
DO 10.1101/2020.12.03.410274
A1 James Schuler
A1 Zackary Falls
A1 William Mangione
A1 Matthew L. Hudson
A1 Liana Bruggemann
A1 Ram Samudrala
YR 2020
UL http://biorxiv.org/content/early/2020/12/03/2020.12.03.410274.abstract
AB 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 StatementThe authors have declared no competing interest.