Our Computer Aided Synthesis Planning (CASP) programme aims to develop an integrated platform for chemical information resources: computational, experimental and database.
The resources will be interfaced using informatics tools, with the ability to process combined chemical information and transform data into a refined chemical knowledge to provide efficient solutions to chemical problems and to develop new processes. Although chemical information resources are well established and independent in their own right, our objective is to combine, analyse and extract the relevant knowledge from a large and different set of data. By applying informatics tools we will be able to combine both empirical and non-empirical data, classify, store, and identify patterns and trends to work out the key relationships among the obtained data.
Main contact: Dr Batool Ahmed-Omer
Project group: Dr Batool Ahmed-Omer, Dr Mikhail Kabeshov, Dr Éric Śliwiński, Daniel E. Fitzpatrick and Richard Ingham