From Retrosynthesis to Reality: Interactive Pathway Design for Drug Discovery Teams

Synthetic route design remains a critical bottleneck in small‑molecule drug discovery, especially as teams juggle complex targets, aggressive timelines, and sustainability expectations. Computer‑assisted retrosynthesis has already transformed how chemists explore chemical space; however, the creative, collaborative aspects of route design often still happen offline spread across slides, notebooks, and screenshots.

In this talk, Dr. Ewa Gajewska will introduce the new SYNTHIA® Whiteboard, an interactive workspace built directly into SYNTHIA® Retrosynthesis Software. The Whiteboard allows chemists to pull in pathways, reactions, and molecules from any SYNTHIA® analysis and assemble them on a flexible canvas, then edit, combine, or redesign routes using an integrated molecule editor. This creates a continuous workflow from automated pathway generation to human‑driven refinement and decision‑making, all within a single environment. Through practical drug discovery–oriented examples, attendees will see how to merge routes from multiple analyses, design convergent and divergent strategies, and incorporate green chemistry or portfolio constraints—such as building-block availability or regulated lists—directly into their designs.

The session will also highlight collaboration features that enable teams to share Whiteboards, comment on routes, and prepare presentation‑ready pathway diagrams for project reviews and translational discussions. 

By the end of the webinar, participants will understand how the SYNTHIA® Whiteboard elevates retrosynthesis software from a powerful route‑design engine into a shared digital space where chemists can brainstorm, prioritize, and confidently select executable synthetic pathways for drug discovery and development. 

Learning Objectives:

1. Describe how modern computer‑assisted retrosynthesis tools can support small‑molecule drug discovery from hit to candidate selection.

2. Identify at least two ways digital route‑design workflows can reduce synthesis risk and timelines by revealing alternative disconnections, starting‑material options, or greener pathways.

3. Explain how interactive, collaborative route‑design environments can improve communication and decision‑making between medicinal, process, and analytical chemists.