ZINC15 RECAP core fragmentation output

<strong>uwashed.zip</strong> --- washed molecules from ZINC15 mapping non-stereochemical SMILES to ZINC IDs. <strong>frags.zip</strong> --- fragmented molecules <strong>ViSAS - Example - Full.knwf </strong>---- a KNIME workflow with an exemplary implementation of ViSAS Consider that the folders were split for uploading. Before using any of our scripts, please join the corresponding folders after downloading. The fragmentation procedure followed conforms to the one published by Naveja et al., 2019: doi: 10.1186/s13321-019-0380-5 Please cite the publication above should you use this data. Alternatively, we expect to publish in short a paper on this dataset.