Molecular topology in QSAR and drug design studies

The use of graph theoretical approaches to describe the chemical structure of organic compounds has accomplished more and more relevance along the later years. Since the early times in which such formalism was used to predict simple properties on simple molecules, such as boiling points of alkanes, up to the designfor instanceof novel lead anticancer drugs, a significant progress was achieved and a long path has been covered. The aim of this review is depicting some of the milestones of such a path and somehow forecast which will be the challenges and expectancies for the future of the topics.