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.

药物再利用技术的数量不断增加且日趋成熟。然而，由于在绩效评估方面缺乏共识，相互比较和与现实的比较受到阻碍。这种可比性对于确定科学价值并确保只有重新利用技术的有意义的预测才能进行进一步验证和最终患者使用是必要的。在这里，我们使用我们的霰弹枪重新利用新药机会计算分析 (CANDO) 平台的第 2 版来审查和比较这些技术的性能评估措施，以说明它们的优点、缺点和局限性。了解和使用不同的性能评估指标可确保强大的跨平台可比性，使我们能够通过减少药物发现和开发的时间和成本来继续努力实现最佳的再利用。