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Detection and Assignment of Common Scaffolds in Project Databases of Lead Molecules
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Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/qsar.19880070303openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.bmcl.2003.09.069openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/9781119282594.ch14openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s11705-021-2083-5openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.bmc.2012.04.062openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.drudis.2010.06.004openalex-snapshot
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Additional file 1 of Computer-aided pattern scoring (C@PS): a novel cheminformatic workflow to predict ligands with rare modes-of-action
inferred← citeshttps://doi.org/10.6084/m9.figshare.27093460openalex-snapshot
Additional file 2 of Computer-aided pattern scoring (C@PS): a novel cheminformatic workflow to predict ligands with rare modes-of-action
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