Drug repurposing offers a promising alternative to dramatically shorten the process of traditional de novo development of a drug. These efforts leverage the fact that a single molecule can act on multiple targets and could be beneficial to indications where the additional targets are relevant. Hence, extensive research efforts have been directed toward developing drug based computational approaches. However, many drug based approaches are known to incur low successful rates, due to incomplete modeling of drug-target interactions. There are also many technical limitations to transform theoretical computational models into practical use. Drug based approaches may, thus, still face challenges for drug repurposing task. Upon this challenge, we developed a consensus inverse docking (CID) workflow, which has a ~ 10% enhancement in success rate compared with current best method. Besides, an easily accessible web server named auto in silico consensus inverse docking (ACID) was designed based on this workflow (http://chemyang.ccnu.edu.cn/ccb/server/ACID).

中文翻译：

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ACID：使用共识逆对接策略进行药物转化的免费工具

重新利用药物提供了一种有希望的替代方法，可以大大缩短传统的从头开发新药的过程。这些努力利用了一个事实，即单个分子可以作用于多个靶标，并且对于其他靶标相关的适应症可能是有益的。因此，广泛的研究努力已针对开发基于药物的计算方法。然而，由于药物-靶标相互作用的不完全建模，许多基于药物的方法成功率较低。将理论计算模型转换为实际使用还存在许多技术限制。因此，基于药物的方法可能仍面临药物重新利用任务的挑战。针对这一挑战，我们开发了共识逆向对接（CID）工作流程，与目前的最佳方法相比，成功率提高了约10％。此外，基于此工作流（http://chemyang.ccnu.edu.cn/ccb/server/ACID）设计了一个易于访问的Web服务器，称为自动计算机共识反向对接（ACID）。