Augmented Design: Practical Applications of LLMs and Agentic Workflows in Medicinal Chemistry

Wednesday 3 December 2025 at 9 AM (PT) | 12 PM (ET) | 6 PM (CEST)

Reserve Your Webinar Seat

Large language models (LLMs) and agentic workflows are rapidly evolving from research curiosities into practical tools for day-to-day drug discovery. Rather than replacing scientific expertise, these systems now serve as collaborative partners—able to summarize literature, parse PDB structures, propose hypotheses, and chain analytical tools in real time.

This webinar brings together Jeff Blaney, PhD (Genentech) and Garry Pairaudeau, PhD (Dalton Tx) for a discussion on how chemists are applying LLMs and agentic AI systems to improve design throughput, explore a broader hypothesis space, and accelerate decision-making without compromising rigor or interpretability.

The session will outline where predictive modeling remains reliable, where LLMs add new value, and what a practical “agentic workflow” looks like inside modern medicinal chemistry programs.

Discussion Topics

Baseline for AI in Chemistry: What predictive modeling already does well (e.g., DMPK, physicochemical predictions) and where limits remain.
LLMs as Design Augmenters: How scientists are using LLMs for real-time ideation, hypothesis generation, and code-assisted analysis.
Agentic Workflows in Practice: Examples of LLM-driven agents retrieving data, integrating predictive models, and coordinating analyses across tools.
Augmentation over Automation: Designing AI systems that enhance human reasoning instead of replacing it.
Applied Takeaways: Practical starting points for teams looking to implement LLM- or agent-based approaches.

Who Should Attend

This session is intended for scientists, computational chemists, and R&D leaders interested in practical, scientifically validated use cases of LLMs and agentic workflows in drug discovery.

Reserve your spot today!

Jeff Blaney, PhD

Sr. Director, Discovery Chemistry at Genentech

Jeff Blaney, PhD is Sr. Director of Discovery Chemistry at Genentech, where he leads research efforts in computational and medicinal chemistry with a focus on integrating AI and data-driven methods into drug discovery workflows. He has held leadership roles at Genentech for over 17 years, including serving as Head of SMDD AI within Discovery Chemistry. Prior to joining Genentech, Dr. Blaney was VP of Computational Chemistry & Crystallography at SGX Pharmaceuticals, Exec Director of Physical & Chemical Sciences at DuPont Pharmaceuticals, VP of Computational Chemistry at Metaphorics, and Director of Computational Chemistry at Chiron.

Dr. Blaney earned his PhD in Pharmaceutical Chemistry from the University of California, San Francisco, and a BA in Chemistry-Zoology from Pomona College. He has extensive experience in computational chemistry, AI-enabled drug discovery, and advancing small molecule programs through early-stage development.

Garry Pairaudeau, PhD

CEO and Co-Founder at Dalton Tx

Garry Pairaudeau, PhD is CEO and Co-Founder of Dalton Tx, where he leads efforts to apply technology, innovation, and AI-driven strategies to accelerate drug discovery. Previously, he served as Chief Technology Officer at Exscientia, focusing on integrating artificial intelligence, machine learning, and automation into medicinal chemistry and development workflows. Prior to that, Dr. Pairaudeau held multiple senior leadership roles at AstraZeneca, including Head of Hit Discovery, Head of External Sciences, and Global Head of Research Outsourcing, where he directed large-scale teams across chemistry, screening, and discovery partnerships.

Dr. Pairaudeau earned his PhD in Chemistry from the University of Southampton, where he also completed his BSc in Chemistry with first-class honors. He brings more than 30 years of experience in drug discovery across both large pharma and biotech, with a proven track record of building high-performing teams and advancing innovative approaches to deliver medicines more effectively.

James White, PhD

Collaborative Communications at Collaborative Drug Discovery (CDD)

James White is Director of Collaborative Communications at Collaborative Drug Discovery (CDD Vault), focusing on scientific communication and digital media solutions for biotechnology research organizations. Previously, he served as Associate at Ropes & Gray and Project Manager at Hera Health Solutions, where he developed venture capital networking platforms and provided support for defense grant applications. He completed his PhD in Cell and Developmental Biology at Vanderbilt University and holds a BS in Biopsychology, Cognition, and Neuroscience from the University of Michigan. Dr. White has extensive experience in strategic business development, project management, and fostering partnerships within startup ecosystems, with expertise in communicating complex scientific research to diverse audiences.