论文标题
QSAR和保形预测方法的大规模比较中错过的机会及其在药物发现中的应用
Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery
论文作者
论文摘要
最近Bosc等。 （J Cheminform 11（1）：4，2019）发表了一篇文章，描述了一篇案例研究，该案例研究将共形预测与传统的QSAR方法进行比较，以大规模预测靶 - 型结合的大规模预测。我们认为这项研究非常重要。不幸的是，我们在作者的方法以及他们的发现中发现了一些问题。
Recently Bosc et al. (J Cheminform 11(1): 4, 2019), published an article describing a case study that directly compares conformal predictions with traditional QSAR methods for large-scale predictions of target-ligand binding. We consider this study to be very important. Unfortunately, we have found several issues in the authors' approach as well as in the presentation of their findings.
