AutoGrow

IMPORTANT NOTE: The latest version of AutoGrow (v4) can be found at http://git.durrantlab.com/jdurrant/autogrow4

More information about the older version posted here on SourceForge can be found at http://autogrow.ucsd.edu

AutoGrow 3.1 is an evolutionary algorithm that optimizes candidate ligands for predicted binding affinity and other druglike properties. Though no substitute for the medicinal chemist, AutoGrow attempts to introduce some chemical intuition into the automated optimization process. By carefully crafting chemically feasible druglike molecules, we hope that AutoGrow 3.1 will help supplement the chemist's efforts.