Replace functional groups on a set of ligands with the corresponding bioisosteres, generating all single replacements. Note: In c…

This script joins molecules together based on how well C-H bonds are aligned. The input can be structures in which the molecules …

This script will break up a set of input molecules into fragments based on some simple rules, similar to those described in the o…

Set up the reaction or reaction sequence. Three methods are available for creating the reaction sequence: PathFinder analysis, wh…