Design Analogs

This module is helpful in designing of analog based drugs. It allows the user to generate analogs from scaffold, building blocks and linkers and their subsequent prediction of drug-likeness based on the probability score. User can further click on any of the analog generated to generate its further analogs. Here, we also provided the two options for estimation of drug-likeness. (i) this is based on the Blickerton algorithm. (ii) This is based on the binary fingerprints based strategy. For more information click help.

Paste Scaffold structure:
Paste Building Blocks structure:
Paste linkers :

Select prediction method: Method 1   Method 2