Chemical database preparation for compound acquisition or virtual screening. Academic Article uri icon

start page

  • 375

end page

  • 388

abstract

  • Virtual and high-throughput screening are time-saving techniques that have been successfully applied to identify novel chemotypes in biologically active molecules. Both methods require the ability to aptly handle large numbers of chemicals prior to an experiment or acquisition. We describe a step-by-step preparation procedure for handling large collections of existing or virtual compounds prior to virtual screening or acquisition.

date/time value

  • 2006

Digital Object Identifier (DOI)

  • 10.1385/1-59259-964-8:375

PubMed Identifier

  • 16671410

volume

  • 316

number

keywords

  • Algorithms
  • Computer Simulation
  • Databases, Factual
  • Drug Design
  • Molecular Conformation
  • Molecular Structure
  • Structure-Activity Relationship