This data is a collection of collections produced by researchers primarily located within the Medicinal Chemistry theme of Faculty of Pharmacy and Pharmaceutical Sciences. The data is primarily derived from (1) Molecular simulation, (2) Molecular modelling, and (3) Instrument data (e.g. NMR spectroscopy, X-ray crystallography). The collections are of the primary data for a number of collaborative research project which underpins the publications from within the Medicinal Chemistry theme. The data retention is important to meet the requirements of good research practice and also requirements of the NHMRC and ARC. The custodian will permit access to appropriate users through a process of (a) contacting the custodian, and (b) the custodian assessing the user/usage against the specific collection and possible encumbrances.