Compound collection preparation for virtual screening. Academic Article uri icon

start page

  • 125

end page

  • 143


  • Virtual screening is an established technique that has successfully been deployed in the identification of novel biologically active molecules. Whether for ligand-based or for structure-based virtual screening, a chemical collection needs to be properly processed prior to in silico evaluation. Here we describe our step-by-step procedure for handling large collections of compounds prior to virtual screening.

date/time value

  • 2012

Digital Object Identifier (DOI)

  • 10.1007/978-1-61779-965-5_7

PubMed Identifier

  • 22821595


  • 910