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It allows for a rapid screening of large compound databases in order to identify similar structures. Here we report an open-source command line tool which includes a substructure-, fingerprint- and shape-based virtual screening. Most of the implemented features fully rely on the RDKit cheminformatics framework. VSFlow accepts a wide range of input file formats and is highly customizable. Additionally, a quick visualization of the screening results as pdf and\/or pymol file is supported.<\/jats:p>\n                  <jats:p>\n                    <jats:bold>Graphical Abstract<\/jats:bold>\n                  <\/jats:p>","DOI":"10.1186\/s13321-023-00703-1","type":"journal-article","created":{"date-parts":[[2023,3,31]],"date-time":"2023-03-31T07:03:38Z","timestamp":1680246218000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":15,"title":["VSFlow: an open-source ligand-based virtual screening tool"],"prefix":"10.1186","volume":"15","author":[{"given":"Sascha","family":"Jung","sequence":"first","affiliation":[]},{"given":"Helge","family":"Vatheuer","sequence":"additional","affiliation":[]},{"given":"Paul","family":"Czodrowski","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2023,3,31]]},"reference":[{"key":"703_CR1","doi-asserted-by":"publisher","DOI":"10.3389\/fchem.2020.00343","author":"EHB Maia","year":"2020","unstructured":"Maia EHB, Assis LC, de Oliveira TA, da Silva AM, Taranto AG (2020) Structure-based virtual screening: from classical to artificial intelligence. 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