EuroQSAR Symposia have been taking place since 1973 and constitute major scientific events in computational drug design, with further applications in agricultural and environmental sciences.

The 25th EuroQSAR, entitled “Leveraging Computation for the Discovery of new Medicines”, is organized on behalf of QCMS and is chaired by Professor Andrea Cavalli (Cecam-EPFL, Lausanne, Switzerland) and Professor Gabriele Cruciani (University of Perugia, Italy).

The symposium will cover a wide range of topics including:

• Computational design of covalent drug
• Free energy and kinetics of drug-target binding
• Omics science in drug discovery
• Artificial intelligence and statistical learning in drug discovery
• Quantitative structure-activity relationship (QSAR) and machine learning for drug metabolism (DM) and pharmacokinetics (PK)
• In silico/in vitro models for drug safety
• Virtual screening successful stories
• Next-generation docking: focus on conformational entropy and water
• Knowledge graph-based AI models for target identification

The scientific programme will include 9 plenary lectures, 9 keynote lectures, many oral communications, company workshops, poster presentations, and a commercial exhibition.

An Award Session will include the Hansch and Fujita Award Lectures. These awards are conferred by QCMS to young (Hansch) or senior (Fujita) scientists for their significant contributions to the field. The session will also include the Leo Award Lecture. This award, which will be established in 2026, recognizes a seminal contribution in the field such as the development of a theory, method, software tool, or protocol that is innovative and widely adopted by the scientific community.