eMolFrag

 
   
standalone libraries
 

Assuming that organic compounds are composed of sets of core fragments (bricks) connected by flexible linkers, a molecule can be decomposed into its building blocks tracking their atomic connectivity. eMolFrag is an automated method to extract molecular fragments from compound libraries. These chemical building blocks can subsequently be used to construct virtual screening libraries for targeted drug discovery.

  
eMolFrag
If you use eMolFrag, please cite the following paper:
1 Liu T, Naderi M, Alvin C, Mukhopadhyay S, Brylinski M. (2017) Break down in order to build up: Decomposing small molecules for fragment-based drug design with eMolFrag. J Chem Inf Model 57 (4): 627-631.