20th European Symposium on Quantitative Structure-Activity Relationship (20th EuroQSAR)

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The theme is "Understanding Chemical–Biological Interactions" and the latest trends in QSAR and molecular modeling will be presented alongside integrated approaches and open innovation strategies in drug discovery.

There will be 9 plenary lectures and 28 oral communications selected from the abstracts submitted.



Main Topics

  • Chemical–Biological Space: Representation, Visualization, and Navigation
  • Chemo- and Bioinformatics Approaches to Multi-Target (Q)SAR
  • Modeling of Protein-Ligand Interactions: Structure, Function and Dynamics
  • Assessing Ligand Binding Kinetics
  • Computational Toxicology in Drug and Chemical Safety Assessment
  • Translational Bioinformatics: From Genomes to Drugs
  • Emerging QSAR and Modeling Methods



Workshops & Round Tables

  • (Q)SAR-Related European Initiatives
  • Employing Proper Statistical Approaches for QSAR Modeling and Best Publishing Practices


Confirmed Speakers (March, 2014)

Keynote Lectures

  • From QSAR to MQSPR and Beyond: Predictive Materials Informatics Using a Blend of Heuristic and Physics-Based Methods
    Prof. Curt BRENEMAN (RENSSELAER EXPLORATORY CENTER FOR CHEMINFORMATICS RESEARCH, Troy, United States)
  • Integrating Pharmacometrics into Drug Development
    Dr Roberta BURSI (GRÜNENTHAL, Aachen, Germany)
  • Lead Discovery and Optimisation by Use of Interaction Kinetic Analysis
    Prof. Helena DANIELSON (UPPSALA UNIVERSITY, Uppsala, Sweden)
  • Navigation in Chemical Space Towards Biological Activity
    Dr Peter ERTL (NOVARTIS INSTITUTE FOR BIOMEDICAL RESEARCH, Basel, Switzerland)
  • Opening Lecture - SAR, the Lifelong Learning for my Career
    Prof. Toshio FUJITA (KYOTO UNIVERSITY, Kyoto, Japan)
  • Computational Toxicology – An Essential Part of Drug Safety
    Dr Catrin HASSELGREN (ASTRAZENECA, Mölndal, Sweden)
  • Title to be confirmed
    Dr John OVERINGTON (EMBL-EBI, Cambridgeshire, United Kingdom)
  • Ensemble-Based Drug Design, Combining Protein Structures and Simulations
    Dr Will PITT (UCB PHARMA, Slough, United Kingdom)
  • Closing Lecture - Opportunities and Challenges in Therapeutics Discovery and Development
    Dr John C. REED (F. HOFFMAN-LA-ROCHE, Basel, Switzerland)
  • The Metabolic Code
    Prof. Brian SHOICHET (UNIVERSITY OF TORONTO, Toronto, Canada)


Hansch Session

  • On the Nature of Non-Classical Hydrogen Bonds and Aromatic Interactions
    Prof. Anna LINUSSON (UMEA UNIVERSITY, Umea, Sweden)
  • Dr Yvonne C. MARTIN
    (MARTIN CONSULTING, Waukegan, United States)
  • The Road Ahead: New Challenges for Computational Forecasts
    Prof. Tudor I. OPREA (UNIVERSITY OF NEW MEXICO, Albuquerque, United States)
  • Molecular Design of Bivalent and Dual Action Drugs
    Prof. Nikolay S. ZEFIROV  (MOSCOW STATE UNIVERSITY, Moscow, Russia)


The Scientific Programme will be accompanied by a Poster Session, a Commercial Exhibition as well as an impressive Social Programme around Saint Petersburg, a capital of culture of Russia and a UNESCO landmark.



► In celebration of EuroQSAR 2014, a special issue of Molecular Informatics will be organized and published after the symposium, under the editorship of Profesor Gerhard Ecker (Co-Editor, Molecular Informatics; University of Vienna, Austria) and Professor Vladimir Poroikov (Guest Editor; Institute of Biomedical Chemistry of Russian Academy of Medical Sciences, Moscow, Russia).


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