AI in CHEM Seminar Series: Drug Discovery with Heikki Käsnänen (Orion Pharma)

This talk is part of the “AI and Machine Learning in Chemical Research and Industry” Seminar Series organized by the Aalto University School of Chemical Engineering. It is open to all members of the public. Registered students in course CHEM-E4190 can also obtain 1cr by attending the seminars and completing the assignments.

Date and location

• Wednesday 26 February 2025 @ 13:15-14:00
• A304 Ke2 lecture hall in the main building of the School of Chemical Engineering, Kemistintie 1, 02150 Espoo.

Agenda

• 13:00-13:15. Setup and brief info for the registered students.
• 13:15-14:00. Seminar by Heikki Käsnänen, lecture hall A304.
• 14:00-onwards. Coffee, netwoking and mingling in the lobby adjacent to the lecture hall.

Seminar info

Transforming Drug Discovery: From Computational Tools to Model-Driven Innovation

Heikki Käsnänen, Orion Pharma

The pharmaceutical industry is undergoing a paradigm shift in how computational methods and models are integrated into the drug discovery process. Historically, these tools played a supportive yet impactful role, assisting chemists and biologists in decision-making and innovation. Today, advancements in predictive and generative AI/ML, the scaling of physics-based methods, and the emergence of active learning are propelling us toward a future of truly model-driven drug discovery. This talk will explore how virtual DMTA (Design, Make, Test, Analyze) cycles, accelerated by AI/ML, are transforming R&D workflows, enabling faster and more efficient exploration of chemical space. It will also discuss the challenges and opportunities in scaling physics-based methods for broader applicability and how active learning can enhance the adoption of slower but more accurate computational approaches. While the vision of fully model-driven drug discovery is not yet realized, this transition marks an exciting new era for innovation and impact in the pharmaceutical industry.

About the speaker

Dr. Heikki Käsnänen describes himself as a digital drug hunter, working at the intersection of computation, chemistry, and biology. He currently leads a research group at Orion Pharma, focusing on hit discovery and the application of computational chemistry and AI/ML methods in small molecule drug discovery. Heikki holds a Master’s degree in Pharmacy from the University of Kuopio and completed his PhD in Computational Medicinal Chemistry under the guidance of Professor Antti Poso. In 2011, while finalizing his doctoral studies, he was invited to join Orion, where he has since gained over a decade of experience in small molecule drug discovery, with a particular focus on oncology and pain targets. Since 2020, Heikki has led the Molecular Prospecting and Modeling unit, driving innovation and advancing model-driven discovery alongside a talented team of colleagues.