PAIN(S) relievers for medicinal chemists: how computational methods can assist in hit evaluation

Conrad Stork, Johannes Kirchmair (Corresponding author)

Publications: Contribution to journalEditorialPeer Reviewed

Original languageEnglish
Pages (from-to)1533-1535
Number of pages3
JournalFuture Medicinal Chemistry
Volume10
Issue number13
DOIs
Publication statusPublished - 29 Jul 2018
Externally publishedYes

Austrian Fields of Science 2012

  • 106005 Bioinformatics
  • 301207 Pharmaceutical chemistry

Keywords

  • AGONY
  • ASSAY INTERFERENCE COMPOUNDS
  • ECSTASY
  • PAINS
  • aggregators
  • frequent hitters
  • in silico prediction
  • in vitro screening
  • machine learning
  • molecular similarity
  • promiscuous compounds
  • rule-based approaches
  • statistical methods

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