Ligand design using Torch and Spark in tandem - molecule growing

Lead optimization calls on the experience and intuition of team members to drive towards the project goals. However, using Spark (for bioisostere replacement) in addition to Torch provides additional inspiration that may not have been considered.

This web clip shows how iterative design can be done and assessed within Cresset’s software by using Spark to identify bioisosteric substitutions that are in keeping with the field space of the reference ligand in its bioactive conformation.