Design and Implementation of a High-Throughput Experimentation Platform to Accelerate Drug Discovery

Area of Science:

• Drug discovery
• Medicinal chemistry
• Chemical synthesis

Background:

• High-throughput experimentation (HTE) is crucial for accelerating drug discovery.
• Optimizing reaction conditions is essential for efficient medicinal chemistry workflows.
• AbbVie's Discovery Chemistry organization sought to enhance its HTE capabilities.

Purpose of the Study:

• To describe the development and function of a novel HTE platform.
• To outline strategies and approaches tailored for medicinal chemistry.
• To identify and report optimal reaction conditions for frequently used transformations.

Main Methods:

• Development of a specialized HTE platform.
• Data collection and analysis from five years of platform usage.
• Statistical analysis to determine top-performing reaction conditions.

Main Results:

• Successful implementation of the HTE platform within Discovery Chemistry.
• Identification of the most effective reaction conditions for key chemical transformations.
• A comprehensive dataset of optimized reactions for medicinal chemistry applications.

Conclusions:

• The developed HTE platform significantly enhances medicinal chemistry efficiency.
• The identified optimal reaction conditions provide valuable guidance for synthesis.
• This work facilitates faster and more effective drug discovery processes.