Welcome to In silico Bioisosteric Replacement System

How to use MolOpt

1. On the xundrug.cn/molopt website, input a molecule and then click one of the button in 'Replace method' box.

2. The system detected all replacable substructures on the input molecule. Please select the substructure you want to optimize and click 'Submit' button and wait for two minitues.

3. The system find suitable bioisosteric groups and assemble new molecule. The result page show information on newly generated analogues.


If you have any question about MolOpt, please contact:

Changge Ji