DecoyFinder is a graphical tool which helps finding sets of decoy molecules for a given group of active ligands. It does so by finding molecules which have a similar number of rotational bonds, hydrogen bond acceptors, hydrogen bond donors, logP value and molecular weight, but are chemically different, which is defined by a maximum Tanimoto value threshold between active ligand and decoy molecule MACCS fingerprints. Optionally, a maximum Tanimoto value threshold can be set between decoys in order assure chemical diversity in the decoy set.
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These details are provided for information only. No information here is legal advice and should not be used as such.
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30 Day SummaryMar 25 2024 — Apr 24 2024
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12 Month SummaryApr 24 2023 — Apr 24 2024
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