ADME/Tox Prediction

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ADME/Tox Prediction
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• The characterization of Absorption, Distribution,
  Metabolism, and Excretion (also known as ADME)
  and Toxicity are essential steps in drug
  development. ADME describes the disposition of a
  pharmaceutical compound within an organism, and
  has been applied in drug discovery to investigate
  the drug levels and kinetics of drug exposure to
  the tissues and hence influences the performance
  and pharmacological activity of the compound as a
  drug. It covers a lot of different assays
  investigating parameters such as membrane
  permeability, metabolic stability and toxicity.
  The ability to predict those properties rapidly
  and accurately from the 2D structures of the
  molecule is extremely helpful.

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• Profacgen strives to provide computational ADME
  prediction, toxicological and physicochemical
  properties, as well as the analysis and
  interpretation of the predicted data. We take
  advantage of the most state-of-the-art ADME and
  Tox property prediction computational methods and
  software tools to quickly and accurately predict
  over 100 properties including solubility, logP
  and pKa etc.

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• Profacgen has a group of scientists with in-depth
  understanding of structure-property
  relationships. We help calculate the ADMET
  characteristics for collections of molecules such
  as synthesis candidates or compound libraries and
  then get the assessment for your compounds.

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Features

• Inclusion of all microstates in pKa prediction
• CYP metabolite generation
• Confidence estimates for classification models
• Creation of your own QSPR/QSAR models
• Prediction of key oral and intravenous
  pharmacokinetic parameters (such as rate of
  metabolism etc.) and toxicity parameters (such as
  LD50 etc.) directly from the chemical 2D
  structure of compounds
• Prediction models are trained using large,
  well-validated datasets

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• Thanks for watching!
• Contact Profacgen
• Address 45-1 Ramsey Road Shirley, NY 11967, USA
• Website https//www.profacgen.com