Welcome to In silico Drug Design System
eMolToxeMolTox is a webserver for toxicity prediction and drug safety analysis.
MolGpKaMolGpKa is a webserver for pKa prediction using Graph-Convolutional Neural Network.
MolTautMolTaut is a web server for rapid generation of favorable tautomer of small molecules in aqueous solution.
MolSolvMolSolv is a web server for aqueous solvation energy prediction.
MolOptMolOpt is a webserver for hit/lead optimization using bioisosteric transformation.
FragRepFragRep is a web server for structure-based drug design by fragment replacement.
MolHybMolHyb is a web server for structure-based drug design by molecular hybridization.
FragGrowFragGrow is a web server for structure-based drug design by fragment growing within constraints.
Contact
If you have any question or comments, please contact:
Changge Ji
Chicago.ji@gmail.com