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The main mission of D3 Compunet is to develop innovative computational tools and algorithms to enhance the discovery of novel and better medicines. A further strategic asset of D3 Compunet is to design, synthesize, and biologically evaluate novel lead candidates for cancer, neurodegenerative diseases, and neglected tropical diseases. The team is composed of a core of computational scientists, who work in strict collaboration with chemists and biologists towards interdisciplinary goals in drug discovery.