Structure Checker – in silico surgery for molecules

May 2011 Author: ()

Chemical structures often suffer from various drawing errors. These errors may originate from actual drawing mistakes, or insufficient structure recognition and interpretation of structure images. Also, in case of old structural databases the limitations of early technologies may lead to inconsistent chemical structures. Structure Checker is capable of recognizing, reporting or automatically fixing most of the structural errors in chemical structure representations, which makes it a key component for chemical registration systems. The usage and configuration of the reporting and fixing features will be presented using selected examples.