DecoyFinder is a graphical tool which helps finding sets of decoy molecules for a given group of active ligands. It can do so by either finding molecules with a molecular weight similar to the actives (fast method) or by finding molecules which have a similar number of rotational bonds, hydrogen bond acceptors, hydrogen bond donors, logP value and molecular weight, but are chemically different, which is defined by a maximum Tanimoto value threshold between active ligand and decoy molecule MACCS fingerprints (slow method). Optionally, with this method a maximum Tanimoto value threshold can be set between decoys in order assure chemical diversity in the decoy set.
Grup de Recerca en Nutrigenòmica, Departament de Bioquímica i Biotecnologia, Universitat Rovira i Virgili, Campus de Sescelades, C/Marcel.lí Domingo s/n, 43007, Tarragona, Catalonia, Spain.
Windows users: just use the installer, all needed files are provided.
Ubuntu 12.04 LTS and Debian users: simply install the provided .deb package, all dependencies will be automatically installed by the package manager. If you open the .deb package using the software center, it may complain about the package being of bad quality and advice against its installation. Just ignore the warning. This will be fixed in future releases.