The adaptability of pyFlare to access advanced data visualization and calculation functionalities
We showcase some examples within a drug discovery context where the pyFlare environment has been further expanded with advanced data ...
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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.