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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… Click to show full abstract
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.
Keywords:
large scale;
missed opportunities;
comparison qsar;
qsar;
scale comparison;
opportunities large
Journal Title: Journal of Cheminformatics
Year Published: 2019
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Journal Title: Journal of Cheminformatics
Year Published: 2019
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!