One of the major fields within pharmaceutical bioinformatics is the in silico metabolism prediction of drug candidates. This field is in turn divided into three tasks; 
* Predicting the occurrence of an interaction between a compound and an enzyme,
* Predicting the location in the compound that takes part in the interaction, i.e. the site of metabolism (SOM),
* Predicting the outcome from the interaction, i.e. the resulting metabolite product.
There are several existing tools trying to solve these tasks, e.g. SMARTCyp and MetaPrint2D predicts the SOM for chemical compounds.