Senior Scientist BioAscent Discovery Ltd Motherwell, Scotland, United Kingdom
Abstract:
Increasing assay demand and complexity will stretch the capacity and agility of current compound management processes. The integration of automation and artificial intelligence (AI) technologies holds immense potential to revolutionise the drug discovery process, facilitated through Centralised Compound Management (CCM). Compound management organisations will need to up-scale current infrastructure, outsource or create new paradigms to meet these requirements. Here BioAscent present the initiatives in advancing automation to support AI-led integrated drug discovery to enhance efficiency and reduce cost.
BioAscent, a leading provider of integrated drug discovery services, has strategically leveraged automation to optimise compound management workflows. BioAscent has engaged advanced robotic liquid handling systems capable of rapidly and accurately handling large compound libraries. These systems not only streamline inventory management but also facilitate data-driven decision-making throughout the drug discovery pipeline.
AI algorithms can analyse the screening results of large libraries of small molecules or fragments (exceeding 150,000 compounds) against new therapeutic targets. This analysis reveals the distinct biological profiles of the targets and how their interactions with chemical compounds influence those compounds' activity. BioAscent's strategic approach, encompassing automated storage, retrieval, and robotic handling of these vast libraries, is key to the success of this AI-driven endeavor. By minimizing variation, BioAscent ensures robust datasets with rapid turnaround times, enabling cutting-edge advancements in High Throughput Screening (HTS) without compromising the integrity of the compound libraries.
AI-driven processes streamline decision-making in the design and synthesis of new compounds, enabling rapid screening and seamless data integration back into the system. This iterative approach leverages a constant influx of new data, facilitated by BioAscent's closely coordinated drug discovery facilities. Experts in medicinal chemistry, computational chemistry, data science, biology, and compound management collaborate to ensure a continuous cycle of improvement and innovation.
Moreover, the impact of automation in compound management on integrated drug discovery initiatives is noteworthy. By seamlessly integrating compound management with next stages of the drug discovery process, BioAscent has established a harmonious ecosystem that expedites the identification of leads and shortens the time to market for innovative therapeutics. Additionally, the poster explores forthcoming directions and emerging trends at the intersection of automation in centralised compound management, underscoring the potential for sustained innovation and transformation within the pharmaceutical industry.
