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Andrea Cavalli

Researcher - Principal Investigator
Associate Director for Computational Sciences

Research Line

Computational and Chemical Biology


IIT Central Research Labs Genova


+39 010 2897 403


Andrea Cavalli is Professor of Medicinal Chemistry at the University of Bologna and Research Director at the Italian Istitute of Tecnology, Genova, Italy, where he is also Associate Director for the Research Domain “Computation & Data Science”. Prof. Cavalli received his PhD in Pharmaceutical Sciences from the University of Bologna in 1999 and did postdoctoral work at SISSA (Trieste, Italy) and ETH (Zurich, Switzerland), where he also was a visiting scientist.


Research interests

Prof. Cavalli’s research interests are in the field of computational chemistry and drug discovery. In particular, he has designed, developed, and applied new algorithms and codes to accelerate the discovery of new medicines in therapeutic areas that include cancer, neurodegenerative diseases, and neglected tropical diseases. He is co-founder of a high-tech start-up company, which develops new methods in computational life science, clustering, and data analytics for pharmaceutical companies.

Congress presentations and seminars

Prof. Cavalli has delivered over 100 invited lectures and seminars at international congresses and at prestigious national and international institutions.

Patents and technology transfer activity

Prof. Cavalli is co-inventor in 10 international PCT patents and patent applications, and he is co-founder of the high-tech start-up company BiKi Technologies, which collaborates with several pharmaceutical companies in Europe and in the USA.

Committees and editorial activities

Prof. Cavalli has been a member of the scientific and/or organizing committees of several national and international congresses and symposia, including CECAM Workshops in Lausanne, EuroQSAR Congress in Vienna and Thessaloniki, Drug Design and Medicinal Chemistry Congress in Boston and Berlin, etc. He was nominated chairman of the 21st edition of the International Symposium EuroQSAR, which was held in Italy (Verona) in Sept. 2016. He is chair of the international scientific organization QSAR, Chemoinformatic and Modeling Society (QCMS former QSAR Society). Prof. Cavalli is member of the Editorial Board of numerous international scientific journals and he has been reviewer and committee member for several international funding agencies (EU, Austria, Switzerland, France, USA, Israel, etc.).


Selected Publications

Publications and bibliometric indices

Prof. Cavalli is the author of more than 200 publications in top ranked journals (e.g. Nature Commun.,
Nature Neurosci., Chem. Rev., Acc. Chem. Res., Proc. Natl. Acad. Sci. USA, ACS Nano, Chem., J. Am. Chem.
Soc., Angew. Chem. Int. Ed. Engl., Med. Res. Rev., J. Biol. Chem., J. Med. Chem., Drug Discov. Today, Chem.Eur. J., Chem. Commun., Biophys. J., Bioinformatics, etc.).

Ø H-index = 52
Ø Citations > 9,000


1996 – Rotary Prize ‘The best student of the year at the Faculty of Pharmacy of the University of Bologna’.
2003 – Farmindustria Prize for the Pharmaceutical Research ‘Dedicated to scientists younger than 40 years old’.


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