Integrated In Silico Workflows for Small Molecule Discovery and Optimization

Webinar

In this webinar explore how AI and digital technologies are reshaping the landscape of drug discovery and optimization. We present a retrospective case study that reimagines the discovery of a published small molecule through a modern in silico workflow. By integrating generative design, predictive ADMET modeling, and retrosynthetic library planning, we demonstrate how early discovery efforts can be streamlined without compromising scientific integrity. Utilizing AIDDISON™ and SYNTHIA^® software, this session showcases an iterative and integrated digital Design-Make-Test-Analyze (DMTA) cycle. Attendees will gain practical insights into how these tools work in tandem to reduce cycle times, prioritize synthetically accessible candidates, and enhance decision-making in small molecule discovery.

Key Takeaways:

• Learn how an integrated digital workflow can optimize hit-to-lead and candidate selection.
• Discover techniques for generating diverse molecule libraries with desirable drug-like properties.
• Understand how retrosynthetic and forward synthesis planning can refine de novo designs for real-world feasibility and accelerate synthesis timelines.