Announcement: Annual General Meeting of QCMS

The Annual General Meeting (AGM) of QCMS will take place online on November 20th, 2025, at 16:00 CET.

The meeting will be held on zoom. To attend, please register by sending a short email with “AGM2025” in the subject line to info _at_ qsar.org

The meeting will open with an invited lecture by Prof. Harel Weinstein, Maxwell M. Upson Professor of Physiology and Biophysics at Cornell University.

Following the lecture, the meeting will proceed according to the standard order of business:

  • Report of activities (Scientific Director and President)
  • Financial report (past year and budget forecast)
  • Other matters

We warmly encourage all members to participate in this important annual event.

QCMS Invited Lecture 2025

Biology’s ubiquitous mechanism of allosteric communication is a designer’s ally if treated with… intelligence

It is now well established that allostery – the propagation of information over long distances at the molecular and cellular scale formalized by Monod/Changeux/Jacob – is a common and pervasive mechanism in biology. Because allosteric communication underlies function in a vast number of biomolecular systems, it is not surprising that the quest for modulators of biological function at the molecular and systems levels stumbled eventually on “allosteric modulation”. Under this name hide two different concepts: one is the modulation of the action of one ligand (the “orthosteric binder”) by another (the “allosteric binder”); the other is the modulation of the intrinsic allosteric communication that underlies the functional process itself. These two different concepts are essential, each in its own way, for enabling the design of therapeutic modalities and of various means to repair, or to mimic in engineered systems, various biological processes and molecular machines.
This presentation will focus on approaches to discover the intrinsic allosteric communication pathways in proteins, and harness their allosteric communication mechanism to modulate their functional processes. Specific applications to enzymatic and intracellular traffic machines using AI and Machine Learning approaches will illustrate such quantitative treatments of allosteric communication that generalize to address the modulation of broad spectrum of biomolecular functions.

Harel Weinstein, D.Sc. is the Maxwell Upson Professor of Physiology and Biophysics and Director of the Institute for Computational Biomedicine at Weill Cornell Medical College of Cornell University in New York City.

As a Tri-Institutional Professor, he holds professorial appointments at Rockefeller University, Sloan-Kettering Institute and Cornell University. His lab is devoted to studies in molecular and computational biophysics that address complex systems in physiology, and to the development and application of bioinformatics and AI/ML approaches to systems biology. The biomedical endpoints are signaling and neurotransmission in health and disease mechanisms, cancer, and with a recent special emphasis on translational aspects in ligand design and novel therapeutic modalities in combating infection. As the founding director of the Institute for Computational Biomedicine he has developed an academic and research unit responsible for a novel approach to biomedicine that involves the mathematical, physical, and computational sciences in combination with engineering and medical informatics, to seek a quantitative understanding of physiological function and disease, in an integrative, multi-scale approach based on gene structure and defects responsible for properties and behaviors at all levels–from protein, to cell, tissue and organ. He has received numerous honors and awards including election to Fellow of the Biophysical Society (FBPS, 2018), of the Physiological Society (FAPS, 2019), and of the American Association for the Advancement of Science (FAAAS, 2022). He served on the Executive Board of the International Society for Computational Biology and various Committees, was elected President of the Biophysical Society (2008) and served as Past President till 2011. He also served as President of the Association of Chairmen of Departments of Physiology, President of the International Society for Quantum Biology and Pharmacology, Chair of the Biophysics Section of the New York Academy of Sciences and Councilor of the Biophysical Society and of the New York Academy of Medicine.

Call for Nominations: Hansch, Fujita, and Leo Awards

QCMS is pleased to announce the Call for Nominations for the Hansch, Fujita, and Leo Awards. These awards honor outstanding contributions to the fields of quantitative structure–activity relationships (QSAR), chemoinformatics, and computational drug design.

Deadline for nominations: November 20th, 2025 (date of the 2025 General Assembly).
Following the deadline, the Award Committee will review all submissions and select the awardees.

Award winners will be invited to deliver an award lecture at the 25th EuroQSAR Symposium, which will take place in Perugia, Italy, from September 27 to October 1, 2026.

The Hansch Award (established in 2000)
Named after Prof. Corwin Hansch, father of QSAR and pioneer of physical chemistry applied to drug discovery.
Awarded to a young scientist under the age of 40
Recognizes significant contributions to QSAR and related disciplines

The Fujita Award (established in 2016)
Named after Prof. Toshio Fujita, whose pioneering work shaped QSAR and computational methods for biologically active compounds.
Awarded to a senior scientist
Recognizes a distinguished career of significant contributions in the field

The Leo Award (starting in 2026)
Named after Albert J. Leo, whose rigorous predictive tools have had a lasting impact on QSAR and chemoinformatics.
Recognizes a seminal contribution such as a theory, method, software tool, or protocol
The contribution must be innovative, widely adopted by the scientific community, and catalytic for further advances

Nomination Guidelines

Each nomination should include:

  • Full name and affiliation of the nominee
  • Award category (Hansch, Fujita, or Leo Award)
  • A brief justification explaining how the nominee’s profile and achievements align with the scope of the award
  • (Optional) Supporting materials such as a CV or list of selected publications

Submission:
Send nominations by email to info_at_qsar.org with the subject line: “Award Nomination – [Nominee’s Name]”.

25th EuroQSAR

We are glad to announce that the 25th EuroQSAR Symposium will take place in Perugia, Italy, from September 27 to October 1, 2026.

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 organised on behalf of QCMS and is chaired by Prof. Andrea Cavalli (Cecam-EPFL) and Prof. Gabriele Cruciani (University of Perugia).

The symposium will cover a wide range of topics including:

Computational Design of Covalent Drugs
Kinetics and Residence Time
Omics Science in Drug Discovery
Relative and Absolute Binding Free Energy
Drug-target Interaction via AI
QSAR and Machine Learning for DM/PK
In silico/in vitro Models for Drug Safety
Statistical Learning for Drug Discovery
Virtual Screening Successful Stories
Water in Drug Discovery
Next-generation Docking: Focus on Conformational Entropy
AI in Drug Discovery: Success or Failure
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.

On top, the 25th EuroQSAR will again host an Award Session, which 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, 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.

The symposium will take place in the vibrant and captivating city of Perugia, a charming hilltop city in Italy, known for its medieval streets, vibrant student life, and rich cultural heritage.

We look forward to welcoming you in Perugia in autumn 2026!

24th EuroQSAR

https://www.euroqsar.org/

Barcelona, September 22-26, 2024

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

The 24th EuroQSAR Symposium, entitled “Synergizing AI and Multiscale Modeling for Drug Discovery”, is organised on behalf of QCMS and is chaired by Prof. Jordi Mestres (University of Girona, Spain)

For details and registration, see https://www.euroqsar.org/