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   PreADME

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PreADME

PreADME

  Molecular Descriptors Calculation
This program can calculate about 130 molecular descriptors including constitutional, topological, physico-chemical and geometrical descriptors for ADME prediction.
  Drug-Likeness Prediction
This program can predict drug-like and lead-like compounds for HTS and Comb.Chem. Library design. The Lipinski's rule(Rule of Five) and Lead-like rule are used for this prediction.
  Absorption Prediction
This program can predict permeability for Caco-2 cell, MDCK cell and BBB(blood-brain barrier), and HIA(human intestinal absorption) using artificial neural network with back-propagation method.

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