Standardizer - Molecular Cosmetics for Chemoinformatics
A chemical compound can appear in various forms and its graphical representation often depends on the taste of the chemist. These variants are usually represented with different graphs in chemical software programs making the structural identification difficult. Apart from the naturally occurring mesomeric and tautomeric issues, chemical compounds are rarely neutral and pure, thus counterions and solvents might appear in the chemical structure files making the identification even more problematic. ChemAxon1 developed Standardizer, a Java-based software tool for the batch conversion of chemical structures according to a standard defined by the chemical database administrator.