SUMMARY: The New E-Resource for Drug Discovery (NERDD) is a quickly expanding web portal focused on the provision of peer-reviewed in silico tools for drug discovery. 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. AVAILABILITY AND IMPLEMENTATION: The NERDD web server is available at https://nerdd.zbh.uni-hamburg.de. Most tools are also available as software packages for local installation.

Computational Biology Unit Bergen N 5020 Norway

Department of Chemistry University of Bergen Bergen N 5020 Norway

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

Department of Informatics Universität Hamburg Faculty of Mathematics Informatics and Natural Sciences Center for Bioinformatics Hamburg 20146 Germany

References provided by Crossref.org

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Open, High-Resolution EI+ Spectral Library of Anthropogenic Compounds