FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity

Martin Sicho, Christina de Bruyn Kops, Conrad Stork, Daniel Svozil, Johannes Kirchmair (Corresponding author)

Publications: Contribution to journalArticlePeer Reviewed

Original languageEnglish
Pages (from-to)1832–1846
Number of pages15
JournalJournal of Chemical Information and Modeling
Volume57
Issue number8
DOIs
Publication statusPublished - Aug 2017
Externally publishedYes

Austrian Fields of Science 2012

  • 106005 Bioinformatics
  • 301207 Pharmaceutical chemistry

Keywords

  • CYP-MEDIATED SITES
  • P450
  • PATHWAY PREDICTION
  • POPULATION ANALYSIS
  • PREDICTING DRUG-METABOLISM
  • REACTIVITY
  • RS-PREDICTOR
  • SMARTCYP
  • WAVE-FUNCTIONS
  • XENOBIOTIC METABOLISM

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