Design Module

What is the Design Module?

The Design Module in MedChem Studio provides:

  • Functionality to encode and explode combinatorial chemistry reactions:
    • Powerful, customizable engine allows specification of complex reactions and transformations in SMIRKS and ISIS/Draw™ formats
  • Generate structural analogs of a lead molecule to help guide lead evolution
  • Perform R-group explosion to created missing compounds in an R-Table matrix