SPROUT is a sophisticated de novo design tool for designing new hit compounds by building skeletons from fragments within the active site of your target.
SPROUT is an excellent synergy with fragment-based hit discovery by allowing you to build structures with your own imported fragments.
SPROUT-HitOpt is designed for optimizing hit compounds within the target's active site.
SPROUT-HitOpt offers two ways of hit optimization:
SynSPROUT is aimed to generate synthetically accessible ligands by de novo design. Skeletons are generated from fragments by joining them together via synthetic reactions.