During hit and lead expansion, researchers want to quickly explore SAR around key hit/lead compounds. 2D similarity and substructure searching capabilities help researchers find additional, untested compounds to develop SAR and identify analogs with improved properties.
SAR visualization tools allow researchers to quickly make decisions on what variation has been explored and what variation will be most productive in beginning the lead optimization process.
During lead hopping and scaffold hopping, researchers can identify novel structures, scaffolds, or R-groups with similar shape and/or pharmcophoric features that have an improved chance of showing the desired biological activity.
Using SYBYL-X, you can: