ACD/ADME Suite by Advanced Chemistry Development, Inc., (ACD/Labs)

Predict pharmacokinetic properties from structure


ACD/ADME Suite by Advanced Chemistry Development, Inc.,  (ACD/Labs) product image
ACD/ADME Suite
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ACD/ADME Suite is a collection of prediction modules that provide high-quality, structure-based calculations of pharmacokinetic properties. Predict the following properties from structure:

  • Blood-brain barrier penetration
  • Cytochrome P450* inhibition and substrate specificity
  • Distribution*
  • Maximum recommended daily dose for human clinical trials
  • Oral bioavailability—its dependence on logP and bioavailability-dose dependence
  • Passive absorption
  • P-glycoprotein specificity*
  • Physicochemical properties—logP,* logD,* pKa,* aqueous solubility,* etc.
  • Sites of metabolism