title: ChemBioServer: a web-based pipeline for filtering, clustering and visualization of chemical compounds used in drug discovery.
abstract: CONCLUSIONS
  ChemBioServer is a publicly available web application for effectively mining and filtering chemical compounds used in drug discovery. It provides researchers with the ability to (i) browse and visualize compounds along with their properties, (ii) filter chemical compounds for a variety of properties such as steric clashes and toxicity, (iii) apply perfect match substructure search, (iv) cluster compounds according to their physicochemical properties providing representative compounds for each cluster, (v) build custom compound mining pipelines and (vi) quantify through property graphs the top ranking compounds in drug discovery procedures. ChemBioServer allows for pre-processing of compounds prior to an in silico screen, as well as for post-processing of top-ranked molecules resulting from a docking exercise with the aim to increase the efficiency and the quality of compound selection that will pass to the experimental test phase.
  
  
  BACKGROUND
  The ChemBioServer web application is available at: http://bioserver-3.bioacademy.gr/Bioserver/ChemBioServer/.
  
  
  BACKGROUND
  gspyrou@bioacademy.gr
authors.affiliation: Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece.
authors.forename: Emmanouil
authors.initials: E
authors.lastname: Athanasiadis
authors.forename: Zoe
authors.initials: Z
authors.lastname: Cournia
authors.forename: George
authors.initials: G
authors.lastname: Spyrou
mesh_terms: D000465:Algorithms; D016000:Cluster Analysis; D003198:Computer Simulation; D055808:Drug Discovery / Q000379:methods*; D020407:Internet; D012984:Software