Quickly advance your drug discovery projects by finding novel and diverse biologically relevant replacements for both core and terminal groups
Thanks to Spark’s ‘product-centric’ approach to bioisosteric replacement, users can generate more diverse, less obvious bioisosteres than other comparable methods.
Once the calculation is completed, Spark will present results as a list of biologically relevant replacements ranked using Cresset’s unique XED force field model of electrostatics.
Visually meaningful analysis for molecule triaging and prioritization is supported with property-based traffic light coloring of the results table.
Selected Spark results with field points displayed, and color-coded properties to assist in compound profiling and candidate selection. For each molecule, the replacement fragment is highlighted in magenta, and displayed alongside additional information about the results.