title: SwissSimilarity: A Web Tool for Low to Ultra High Throughput Ligand-Based Virtual Screening.
abstract: SwissSimilarity is a new web tool for rapid ligand-based virtual screening of small to unprecedented ultralarge libraries of small molecules. Screenable compounds include drugs, bioactive and commercial molecules, as well as 205 million of virtual compounds readily synthesizable from commercially available synthetic reagents. Predictions can be carried out on-the-fly using six different screening approaches, including 2D molecular fingerprints as well as superpositional and fast nonsuperpositional 3D similarity methodologies. SwissSimilarity is part of a large initiative of the SIB Swiss Institute of Bioinformatics to provide online tools for computer-aided drug design, such as SwissDock, SwissBioisostere or SwissTargetPrediction with which it can interoperate, and is linked to other well-established online tools and databases. User interface and backend have been designed for simplicity and ease of use, to provide proficient virtual screening capabilities to specialists and nonexperts in the field. SwissSimilarity is accessible free of charge or login at http://www.swisssimilarity.ch .
authors.affiliation: SIB Swiss Institute of Bioinformatics, Quartier Sorge, Bâtiment Génopode , CH-1015 Lausanne, Switzerland.
authors.forename: Vincent
authors.initials: V
authors.lastname: Zoete
authors.affiliation: SIB Swiss Institute of Bioinformatics, Quartier Sorge, Bâtiment Génopode , CH-1015 Lausanne, Switzerland.
authors.forename: Antoine
authors.initials: A
authors.lastname: Daina
authors.affiliation: SIB Swiss Institute of Bioinformatics, Quartier Sorge, Bâtiment Génopode , CH-1015 Lausanne, Switzerland.
authors.forename: Christophe
authors.initials: C
authors.lastname: Bovigny
authors.affiliation: SIB Swiss Institute of Bioinformatics, Quartier Sorge, Bâtiment Génopode , CH-1015 Lausanne, Switzerland.|Ludwig Institute for Cancer Research, Centre Hospitalier Universitaire Vaudois , CH-1011 Lausanne, Switzerland.|Department of Oncology, University of Lausanne and Centre Hospitalier Universitaire Vaudois , CH-1011 Lausanne, Switzerland.
authors.forename: Olivier
authors.initials: O
authors.lastname: Michielin
mesh_terms: D019295:Computational Biology / Q000379:methods*; D004353:Drug Evaluation, Preclinical / Q000379:methods*; D057166:High-Throughput Screening Assays / Q000379:methods*; D020407:Internet; D008024:Ligands; D054852:Small Molecule Libraries / Q000494:pharmacology; D013997:Time Factors; D014584:User-Computer Interface
chemical_list: D008024:Ligands; D054852:Small Molecule Libraries