title: Scaffold network generator: a tool for mining molecular structures.
abstract: CONCLUSIONS
  Scaffold network generator (SNG) is an open-source command-line utility that computes the hierarchical network of scaffolds that define a large set of input molecules. Scaffold networks are useful for visualizing, analysing and understanding the chemical data that is increasingly available through large public repositories like PubChem. For example, some groups have used scaffold networks to identify missed-actives in high-throughput screens of small molecules with bioassays. Substantially improving on existing software, SNG is robust enough to work on millions of molecules at a time with a simple command-line interface.
  
  
  METHODS
  SNG is accessible at http://swami.wustl.edu/sng
authors.affiliation: Department of Pathology and Immunology, Washington University School of Medicine, Campus Box 1097, Whitaker Hall, St. Louis, MO 63130, USA.
authors.forename: Matt K
authors.initials: MK
authors.lastname: Matlock
authors.forename: Jed M
authors.initials: JM
authors.lastname: Zaretzki
authors.forename: S Joshua
authors.initials: SJ
authors.lastname: Swamidass
mesh_terms: D057225:Data Mining; D055808:Drug Discovery; D057166:High-Throughput Screening Assays; D015394:Molecular Structure; D054852:Small Molecule Libraries / Q000032:analysis* / Q000737:chemistry; D012984:Software
chemical_list: D054852:Small Molecule Libraries