De-Novo design tools e.g. molecular generators can generate large number of virtual compounds. Identifying synthetically tractable compounds from a large number of virtual compounds is tedious and prone to errors. We have automated this process by reterosynthetically fragmenting compounds upto two reaction steps using commonly used medicinal chemistry reactions and following it up by a database look-up of derived building blocks into vendor catalogues.

Synthetic feasibility evaluation

Synthetic feasibility evaluation process is possible due to

  • Highly parrallelized Python code for two step reterosynthetic fragmentation
  • Efficient Database design and fast look up of building blocks from vendor catalogues
  • Synthetic