Deja Vu - Reja Vu; On knowledge-based approaches linking ligand and target information to bioactivity
10 / 2007 - 01 / 2013
My project focuses on the development of proteochemometric modeling. In essence this relatively new technique allows for the creation of advanced structure-activity relations based on ligand information, protein information and mutual dependencies. It can therefore map structure activity relations between a series of compounds and a series of proteins including pair specific interaction data. Proteochemometric modeling can effectively separate chance correlations from real structure activity correlations when using very large datasets. Developing this technique and characterizing its advantages and possible shortcomings is the aim of my work at Medicinal Chemistry.