Welcome to In silico Drug Design System

  • eMolTox
  • eMolTox is a webserver for toxicity prediction and drug safety analysis.

  • MolGpKa
  • MolGpKa is a webserver for pKa prediction using Graph-Convolutional Neural Network.

  • MolOpt
  • MolOpt is a webserver for hit/lead optimization using bioisosteric transformation.

  • FragRep
  • FragRep is a web server for structure-based drug design by fragment replacement.


    If you have any question or comments, please contact:

    Changge Ji