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NERDD currently hosts tools for predicting the sites of metabolism (FAME) and metabolites (GLORY) of small organic molecules, for flagging compounds that are likely to interfere with biological assays (Hit Dexter), and for identifying natural products and natural product derivatives in large compound collections (NP-Scout). Several additional models and components are currently in development.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Availability and implementation<\/jats:title>\n                  <jats:p>The NERDD web server is available at https:\/\/nerdd.zbh.uni-hamburg.de. Most tools are also available as software packages for local installation.<\/jats:p>\n               <\/jats:sec>","DOI":"10.1093\/bioinformatics\/btz695","type":"journal-article","created":{"date-parts":[[2019,9,4]],"date-time":"2019-09-04T19:28:55Z","timestamp":1567625335000},"page":"1291-1292","source":"Crossref","is-referenced-by-count":87,"title":["NERDD: a web portal providing access to <i>in silico<\/i> tools for drug discovery"],"prefix":"10.1093","volume":"36","author":[{"given":"Conrad","family":"Stork","sequence":"first","affiliation":[{"name":"Department of Informatics, Universit\u00e4t Hamburg, Faculty of Mathematics, Informatics and Natural Sciences, Center for Bioinformatics (ZBH) , Hamburg 20146, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gerd","family":"Embruch","sequence":"additional","affiliation":[{"name":"Department of Informatics, Universit\u00e4t Hamburg, Faculty of Mathematics, Informatics and Natural Sciences, Center for Bioinformatics (ZBH) , Hamburg 20146, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Martin","family":"\u0160\u00edcho","sequence":"additional","affiliation":[{"name":"Department of Informatics and Chemistry, CZ-OPENSCREEN: National Infrastructure for Chemical Biology, University of Chemistry and Technology Prague, Faculty of Chemical Technology , 166 28 Prague 6, Czech Republic"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Christina","family":"de Bruyn Kops","sequence":"additional","affiliation":[{"name":"Department of Informatics, Universit\u00e4t Hamburg, Faculty of Mathematics, Informatics and Natural Sciences, Center for Bioinformatics (ZBH) , Hamburg 20146, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ya","family":"Chen","sequence":"additional","affiliation":[{"name":"Department of Informatics, Universit\u00e4t Hamburg, Faculty of Mathematics, Informatics and Natural Sciences, Center for Bioinformatics (ZBH) , Hamburg 20146, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Daniel","family":"Svozil","sequence":"additional","affiliation":[{"name":"Department of Informatics and Chemistry, CZ-OPENSCREEN: National Infrastructure for Chemical Biology, University of Chemistry and Technology Prague, Faculty of Chemical Technology , 166 28 Prague 6, Czech Republic"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2667-5877","authenticated-orcid":false,"given":"Johannes","family":"Kirchmair","sequence":"additional","affiliation":[{"name":"Department of Informatics, Universit\u00e4t Hamburg, Faculty of Mathematics, Informatics and Natural Sciences, Center for Bioinformatics (ZBH) , Hamburg 20146, Germany"},{"name":"Department of Chemistry, University of Bergen , Bergen N-5020, Norway"},{"name":"Computational Biology Unit (CBU) , Bergen N-5020, Norway"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"286","published-online":{"date-parts":[[2019,9,6]]},"reference":[{"key":"2023013110132886200_btz695-B1","doi-asserted-by":"crossref","first-page":"2719","DOI":"10.1021\/jm901137j","article-title":"New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays","volume":"53","author":"Baell","year":"2010","journal-title":"J. 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