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Integrated In Silico Workflows - Webinar

Integrated In Silico Workflows for Small Molecule Discovery and Optimization

Detailed description:

This webinar presents a retrospective case study that reimagines the discovery of a published small molecule—originally identified through traditional methods—using a modern in silico workflow. By combining generative design, predictive ADMET modeling, and retrosynthetic library planning, we show how early discovery efforts can be streamlined without compromising scientific rigor.

The case study illustrates how AIDDISON™ and SYNTHIA™ software can be used in an iterative, integrated digital Design-Make-Test-Analyze (DMTA) cycle. Attendees will gain practical insights into how these tools work together to reduce cycle times, prioritize synthetically accessible candidates, and accelerate decision-making in small molecule discovery.

During this webinar we will:

  • Learn how an integrated digital workflow can enhance hit-to-lead and hit candidate optimization
  • Explore applications for generating diverse molecule libraries with desired drug-like properties
  • See how retrosynthetic and forward synthesis planning can refine de novo designs for real-world feasibility and speed to synthesis

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