The systematic translation of cell molecular profiling data into therapeutic possibilities remains challenging. The latest efforts have created a wealth of systematic data describing the biological effects of small molecules. The effects of thousands of small molecules on biological systems have been investigated. Just recently an imminence amount of chemical screening data has been deposited into publicly available databases (PubChem, DrugBank).
A novel combined computational chemo/bioinformatics methods need to be developed to fully exploit this data to support various experimental efforts in the field of chemical biology. In our group, we aimed to develop an analytical environment to provide supervised chemical control of the cell state/phenotype/fate based on experimental molecular profiling data and various publicly available chemical data combined with available knowledge of cell signaling pathways.