Digitalizing the design-make-test-analyze workflow in drug discovery with an electronic inventory platform

Area of Science:

• Drug Discovery and Development
• Cheminformatics
• Laboratory Information Management Systems (LIMS)

Background:

• Drug discovery is a complex, multidisciplinary process requiring seamless collaboration.
• Efficient real-time sharing of design-make-test-analyze (DMTA) data is crucial but challenging.
• Existing systems often fall short in providing flexible DMTA workflow tracking.

Purpose of the Study:

• To propose a novel method for tracking DMTA workflows in drug discovery.
• To leverage existing electronic inventory systems as adaptable DMTA platforms.
• To demonstrate cost-effectiveness and broad applicability of the proposed strategy.

Main Methods:

• Utilizing established electronic inventory systems within Sygnature Discovery.
• Customizing system stages and compound information to meet specific project requirements.
• Implementing the system for real-time DMTA workflow tracking.

Main Results:

• Significant cost savings achieved compared to in-house or commercial solutions.
• Enhanced flexibility in tailoring workflow tracking to project needs.
• Demonstrated feasibility of using inventory systems for DMTA tracking.

Conclusions:

• Electronic inventory systems can be effectively repurposed as DMTA workflow trackers.
• This approach offers a cost-efficient and adaptable solution for drug discovery.
• The strategy has high potential for widespread adoption across the pharmaceutical industry.