Certara Chemaxon horizontal logo pair

From small molecules to sequences: prepare for a new discovery landscape

Scientific Conference and User Group Meeting 

Frankfurt, Germany
4-5th November, 2025

What is Certainty Discovery

Join us for the latest Certainty customer summit: Certainty Discovery. This two-day event showcases the combined expertise of Certara, Chemaxon, and their global community of customers, empowering scientists and research informaticians to achieve greater certainty in drug discovery.     

Day 1 features a scientific conference with renowned industry speakers discussing the impact of new modalities on therapy discovery.

Day 2 focuses on practical solutions offered by our discovery software suite, including D360, Certara AI, Design Hub, Compound Registration and Marvin. Don’t miss this opportunity to advance your research! 

Why join?

 

Prepare for New Modalities-2

Prepare for New Modalities

Learn successful strategies for navigating the informatics challenges posed by sequence-based modalities.

Explore New Technologies-2

Explore New Technologies

Discover our combined capabilities and future vision, including the application of deep learning to text search, optical structure recognition, property prediction model retraining, and more. Discuss how our experts can support you. 

Network with Peers-2

Network with Peers

Connect with fellow Certara and Chemaxon customers who share your passion for drug discovery. 


Speakers

 

Filip Miljković

Filip Miljkovic

AstraZeneca

 

Nathan Brown

Nathan Brown

Independent Consultant

 

Xin Zhang

Xin Zhang

Cellarity

Shijun Yu

Shijun Yu

Roche

Miklos Feher

Miklos Feher

X-Chem

Claire Bellamy-1

Claire Bellamy 

Pfizer

John Cumming

John Cumming

Roche

Sameh Eid

Sameh Eid

Merck

Thomas Fox

Thomas Fox

Boehringer Ingelheim

Gian Marco Ghiandoni

Gian Marco Ghiandoni

AstraZeneca

Christian Baber-1

J. Christian Baber

The Pistoia Alliance 

Matthias Gehringer-1

Matthias Gehringer

Eberhard Karls University

Robert Aspbury-1

Robert Aspbury

Certara

Michael Hofmann

Michael Hofmann

Merck KGaA

William McCoull

William McCoull

AstraZeneca

David Lowis

David Lowis

Certara

Piet van der Graaf

Piet van der Graaf

Certara

Adrian Stevens

Adrian Stevens

Chemaxon

Papp Ákos-1

Ákos Papp

Chemaxon

Roland Knispel

Roland Knispel

Chemaxon

Richard

Richard Jones

Chemaxon


biodavid
bioadrian
absadrian
biorichard
biofilip
absfilip
bionathan
absnathan
bioxin
absxindh
absxincompreg
biomiklos
absmiklos
biojohn
absjohn
bioyu
absyu
bioeid
abseid
biothomas
absthomas
biomarco
biobaber
absbaber
bioclaire
absclaire
biomatthias
absmatthias
biorobert
absrobert
biomichael
absmichaelpapp
bioroland
absroland
biowilliam
bioakos
biopiet

Agenda

4 NOVEMBER 5 NOVEMBER
Scientific Conference
Discovering new drug modalities demands cutting-edge analytical techniques, computational tools, and effective data representation for both small molecules and biologics. Our speakers will showcase real-world challenges and successful solutions across various domains, highlighting the essential methods and tools that discovery teams need to navigate this evolving landscape. 
Morning Session from 9am Afternoon Session from 2pm
Registration & Coffee Break
8:30 - 9:00
Welcome
Rob Aspbury
From Small Molecules to Sequences: Expanding the Informatics Landscape
Adrian Stevens
Molecular Design Platforms: Integrating Chemists, Biologists, and Machines
Nathan Brown
One Ring to Rule Them All? The Challenges of Macrocyclic Peptide Drug Design
John G. Cumming
Biomolecular representation in the real world: HELM and complex polymers
Claire Bellamy
Modeling a (new) Modality: Computational Tools to Support Peptide Projects
Thomas Fox
Lunch & Tech Corner
12:45 - 14:00
Scientific Informatics Challenges in the Changing Discovery Landscape
Christian Baber
Gaining Molecular Insights from DEL Data through Pharmacophores
Miklós Fehér
Closing the Design-Make-Test-Analyze Loop: Interplay Between Experiments and Predictions Drives PROTACs Bioavailability
Filip Miljković
Warhead Chemistry for Targeted Covalent Inhibitors: Present Insights, Future Prospects
Matthias Gehringer
Drinks & Tech Corner
17:00 - 18:00
Gala Dinner
18:00 - 21:00
User Group Meeting
Building on the legacy of the D360 and Chemaxon User Group Meetings, the second day focuses on the successes, lessons learned, and best practices of our software users. Attendees can choose from two tracks: one for discovery scientists and another for research informaticians. Presentations will highlight how these tools have enabled users to achieve more informative, “decision-grade” results faster in their research. 
Morning Session from 9am Afternoon Session from 2pm
Registration / Coffee Break
8:15 - 9:00
Enabling AI-driven Modeling and Simulation-based Decision making in Discovery Towards Increased Clinical Drug Candidate Success
Rob Aspbury
Aligning the early-stage discovery strategies across Chemaxon and Certara
David Lowis
Adrian Stevens
Recent use of D360 at AstraZeneca and expanding beyond small molecules
William McCoull
Design, Collaborate, Predict: A Unified Approach to Discovery
Xin Zhang
Empowering Research: D360 Integration in NBE and ADC Discovery at Merck
Sameh Eid
Lunch & Tech Corner
12:20 - 13:10
Turning rAAV Data into Insight: An Informatics Solution for Molecule Design, Developability, and Cross-Project Learning
Shijun Yu
Modernizing Compound Registration - Three years in: Progress, Lessons, and What’s next
Xin Zhang
Compound Registration as a Data Quality Gateway: Evolving for Multi-Modality Support
Roland Knipsel
Compliance? Anywhere, anytime: Automated controlled substance detection and tariff classification at Merck KGaA
Michael Hofmann
Ákos Papp
Integrating Artificial Intelligence into the Drug Discovery Pipeline
Gian Marco Ghiandoni
Early feasibility assessment: using biosimulation to guide design and prioritization in early discovery
Piet van der Graaf
Program ends
16:00

Venue

Design Offices Frankfurt Wiesenhüttenplatz 

Wiesenhüttenpl. 25, 60329 Frankfurt am Main, Germany 

Exclusive Hotel Discount
Attendees of Certainty Discovery can enjoy a 15% discount at the Scandic Frankfurt Museumsufer Hotel, at a short walking distance from the event venue Just use the promotional code “EVENT” when booking your stay to take advantage of this special offer.

Registration takes less than a minute