23rd EuroQSAR

23rd European Symposium on Quantitative Structure-Activity Relationship

Integrative Data-Intensive Approaches to Drug Design

 Heidelberg, Germany    September 26-30, 2022

Award Lectures

Fujita Award Lecture 2020 (AL01)
Application of Set Theoretic Methods to Ligand-Target Datasets

Prof. Gerald M. MAGGIORA
Prof. Gerald M. MAGGIORA
UNIVERSITY OF ARIZONA, Tucson, United States

Hansch Award Lecture 2020 (AL02)
Multi-scaling the CRISPR-Cas Revolution from Gene Editing to Viral Detection

Dr Giulia PALERMO
Dr Giulia PALERMO
UNIVERSITY OF CALIFORNIA RIVERSIDE, Riverside, United States

Plenary Lectures

Visualizing Data at Scale: Complex Science, Unruly Users, and the Vitruvian Triad (PL01)

Dr Dimitris AGRAFIOTIS
Dr Dimitris AGRAFIOTIS
NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, Cambridge MA, United States
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Title of talk to be announced (PL03)

Prof. Rommie AMARO
Prof. Rommie AMARO
UNIVERSITY OF CALIFORNIA, San Diego, United States
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Towards Machine Learning-Driven Drug Development (PL09)

Prof. Olivier ELEMENTO
Prof. Olivier ELEMENTO
CORNELL UNIVERSITY, New York, United States
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Thermodynamics and Kinetics Properties of G Protein-Coupled Receptors from Combinations of Machine Learning and Enhanced Molecular Dynamics Methods (PL04)

Prof. Marta FILIZOLA
Prof. Marta FILIZOLA
ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI, New York, United States
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Off-target Prediction Based on Binding Site Similarity (PL08)

Prof. Oliver KOCH
Prof. Oliver KOCH
UNIVERSITY OF MÜNSTER, Münster, Germany
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Can Humans Learn from Machine Learning in Drug Discovery? (PL12)

Prof. Tudor I. OPREA
Prof. Tudor I. OPREA
ROIVANT DISCOVERY, Albuquerque, United States
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Studies on Enzyme-Catalysed Reactions (PL11)

Prof. Maria Joao RAMOS
Prof. Maria Joao RAMOS
UNIVERSITY OF PORTO, Porto, Portugal
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Cheminformatics for Next Generation Make-on-Demand Compound Catalogs (PL02)

Prof. Matthias RAREY
Prof. Matthias RAREY
UNIVERSITY OF HAMBOURG, Hamburg, Germany
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Insights into the Passive Membrane Permeation Process of Cyclic Peptides (PL07)

Prof. Sereina RINIKER
Prof. Sereina RINIKER
ETH ZÜRICH, ZURICH, Switzerland
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Enhancing Confidence in Computational Methods for the Evaluation of Drug Safety (PL05)

Dr Alessandra RONCAGLIONI
Dr Alessandra RONCAGLIONI
MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH, Milano, Italy
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Systems Pharmacology Merging Omics Data and Biological Knowledge (PL06)

Prof. Julio SAEZ-RODRIGUEZ
Prof. Julio SAEZ-RODRIGUEZ
HEIDELBERG UNIVERSITY, Heidelberg, Germany
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Title of talk to be announced (PL10)

Dr Gary TRESADERN
Dr Gary TRESADERN
JANSSEN, Beerse, Belgium

In Memoriam Lectures - Peter Goodford

Title of talk to be announced

Prof. Gabriele CRUCIANI
Prof. Gabriele CRUCIANI
UNIVERSITY OF PERUGIA, Perugia, Italy

Structure-Activity Relationships from Drug-Receptor Complexes Using the Comparative Binding Energy (Combine) Method

Prof. Federico GAGO
Prof. Federico GAGO
UNIVERSITY OF ALCALA, Alcala de Henares, Spain
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Session Lectures

Title of talk to be announced

Prof. Paolo CARLONI
Prof. Paolo CARLONI
FORSCHUNGSZENTRUM JÜLICH, Jülich, Germany
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Quantifying GPCR Signaling in an Oligomeric Context

Dr Jesús GIRALDO
Dr Jesús GIRALDO
AUTONOMOUS UNIVERSITY OF BARCELONA, Bellaterra, Spain
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Title of talk to be announced

0 Olexandr ISAYEV
0 Olexandr ISAYEV
CARNEGIE MELLON UNIVERSITY, Pittsburgh, United States

Title of talk to be announced

Dr Petrina KAMYA
Dr Petrina KAMYA
INSILICO MEDICINE, Hong Kong, Hong Kong

Integrating Toxicity and Metabolism Prediction

Prof. Johannes KIRCHMAIR
Prof. Johannes KIRCHMAIR
UNIVERSITY OF VIENNA, Vienna, Austria
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Opportunities and Challenges in GPCR SBDD: Finding the Sweet Spots

Dr Pierre MATRICON
Dr Pierre MATRICON
SOSEI HEPTARES, Cambridge, United Kingdom
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Translational Safety Meets Pharmacovigilance

Dr Jordi MESTRES
Dr Jordi MESTRES
IMIM HOSPITAL DEL MAR MEDICAL RESEARCH INSTITUTE, Barcelona, Spain
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Machine Learning for Early Toxicity Detection at Bayer

Dr Floriane MONTANARI
Dr Floriane MONTANARI
BAYER AG, Berlin, Germany
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Title of talk to be announced

Prof. Tanja SCHIRMEISTER
Prof. Tanja SCHIRMEISTER
UNIVERSITY OF MAINZ, Mainz, Germany

Chemography Concept in Chemical Space Analysis

Prof. Alexandre VARNEK
Prof. Alexandre VARNEK
UNIVERSITY OF STRASBOURG, Strasbourg, France
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Contextualizing Ligand-Transporter Interactions with Data-Driven Approaches

Dr Barbara ZDRAZIL
Dr Barbara ZDRAZIL
UNIVERSITY OF VIENNA, VIENNA, Austria
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Title of talk to be announced

Dr Maria ZIMMERMANN
Dr Maria ZIMMERMANN
EMBL, Heidelberg, Germany