Accelerating Small Molecule Drug Discovery Through AI/ML Integration

Modern drug discovery increasingly relies on AI and machine learning to predict protein structures, model protein–ligand binding poses, design novel molecules, and estimate diverse physicochemical properties. However, effectively comparing, validating, and integrating these predictions requires a centralized and collaborative platform.

We are inviting you to join us in an interactive and free-of-charge session on Monday, October 5th at  Pullman Basel Europe in Basel for our “Accelerating Small Molecule Drug Discovery Through AI/ML Integration” event. In this session, Schrödinger scientists will show how a diverse computational design strategy enabled the identification of multiple potent and highly selective molecular glues. Driven by AI/ML models and supported by our LiveDesign collaborative enterprise informatics platform, this workflow provides a blueprint for tackling challenging targets and integrating AI/ML models into small molecule drug discovery programs.

During this session, you will also be able to try Schrödinger’s new AI co-scientist, Bunsen, that transforms complex drug discovery into a seamless, automated process.

You can either join for the whole event or solely for the presentation session.

Date & Time:

Monday, October 5th, 2026

From 14:30 to 18:00 CET

Program:

Welcome Coffee

14:30 – 15:00

Interactive Session:

Accelerating drug discovery through AI/ML integration

15:00 – 17:00

Jean-Christophe Mozziconacci, Senior Principal Scientist, Applications Science

Amy Clarke, Senior Scientist, Applications Science

• • • Structurally enabling projects using cofolding methods and induced fit docking (IFD-MD)
    • Hit-ID using virtual screening accelerated by active learning and de novo design workflows
    • Lead optimization using predictive models, generative ML and Retrosynth integrated into LiveDesign
    • Introducing Bunsen as your agentic AI co-scientist

This will be demonstrated using the p38:MK2 molecular glue discovery program from Schrödinger’s Therapeutics Group.

Discussion & Networking

17:00 – 18:00

Join us for a Q&A and networking session with colleagues, Schrödinger Scientists and Account Managers to present your questions and challenges.

Register today to secure your seat!

The seminar is free to attend but pre-registration is required as seats are limited. Previous experience with the Schrödinger suite is not required.