Figure 1.

Overview of the three-step ligand-based VS pipeline used. A molecular property filter was applied to the ZINC15 database to select a subset of compounds that are similar to known amyloid ligands. This subset was then screened through two models developed by using the binding affinities of known amyloid ligands in the FBH database. The ligands with the highest predicted affinities obtained from the VS models were then experimentally screened to identify hits.