Beyond providing experiences with the core of chemical computer competencies required of all students is the responsibility that instructors have to expose them to emerging fields of chemical investigation that use computers as the primary tool for their conduct. Significant in this arena are computational chemistry and chemometrics applications. Important uses of computational chemistry include drug design and molecular modeling. Extensions of these types of investigations are used to study biomolecular processes and substrate enzyme interactions. Closely allied to this is the research to develop new algorithms to compute molecular properties by ab initio, semi-empirical, or molecular mechanics methods.
Database management is another example.
These fields, a subset of the broad range of areas encompassed by chemical informatics, require a solid chemistry background and strong computer skills. Our students are locked out of these fields when we do not give them adequate exposure to the basic tools and possibilities.