Literature DB >> 34400352

Evaluating the performance of drug-repurposing technologies.

James Schuler1, Zackary Falls2, William Mangione2, Matthew L Hudson2, Liana Bruggemann2, Ram Samudrala3.   

Abstract

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.
Copyright © 2021 The Authors. Published by Elsevier Ltd.. All rights reserved.

Entities:  

Keywords:  Area under the curve; Biomedical Informatics; Computational drug repositioning; Computational drug repurposing; Drug repositioning; Drug repurposing; Normalized discounted cumulative gain; Performance evaluation; Performance metrics; Validation

Mesh:

Year:  2021        PMID: 34400352     DOI: 10.1016/j.drudis.2021.08.002

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN: 1359-6446            Impact factor:   7.851


  5 in total

1.  Identifying Protein Features and Pathways Responsible for Toxicity Using Machine Learning and Tox21: Implications for Predictive Toxicology.

Authors:  Lama Moukheiber; William Mangione; Mira Moukheiber; Saeed Maleki; Zackary Falls; Mingchen Gao; Ram Samudrala
Journal:  Molecules       Date:  2022-05-08       Impact factor: 4.927

2.  Proteomic Network Analysis of Bronchoalveolar Lavage Fluid in Ex-Smokers to Discover Implicated Protein Targets and Novel Drug Treatments for Chronic Obstructive Pulmonary Disease.

Authors:  Manoj J Mammen; Chengjian Tu; Matthew C Morris; Spencer Richman; William Mangione; Zackary Falls; Jun Qu; Gordon Broderick; Sanjay Sethi; Ram Samudrala
Journal:  Pharmaceuticals (Basel)       Date:  2022-05-01

3.  Network Crosstalk as a Basis for Drug Repurposing.

Authors:  Dimitri Guala; Erik L L Sonnhammer
Journal:  Front Genet       Date:  2022-03-08       Impact factor: 4.599

4.  Optimal COVID-19 therapeutic candidate discovery using the CANDO platform.

Authors:  William Mangione; Zackary Falls; Ram Samudrala
Journal:  Front Pharmacol       Date:  2022-08-25       Impact factor: 5.988

5.  A Deep-Learning Proteomic-Scale Approach for Drug Design.

Authors:  Brennan Overhoff; Zackary Falls; William Mangione; Ram Samudrala
Journal:  Pharmaceuticals (Basel)       Date:  2021-12-07
  5 in total

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