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Reducing Risk and Improving Synthesis Outcomes in Drug Discovery with SYNTHIA™ Retrosynthesis Software
In the dynamic field of drug discovery, the integration of human expertise with cutting-edge technology is essential for success. Today’s synthesis planning hinges on the synergy between the seasoned insights of organic chemists and the precision of modern retrosynthesis software. This five-part series is designed to guide you through pioneering pathways toward more efficient and sustainable drug development. Through these articles, we explore how retrosynthesis software like SYNTHIA™ can significantly reduce risk, enhance your laboratory's capabilities, and promote greener chemistry practices. Additionally, we provide practical guidance on scaling up synthesis reactions, ensuring that your processes are not only innovative but also environmentally responsible and economically viable. Join us as we delve into the transformative potential of integrating advanced algorithms with traditional chemical expertise in the pursuit of groundbreaking pharmaceutical advancements.
Table of Contents
- Overcoming Key Challenges in Drug Discovery
- Using High-Throughput Screening to Rapidly Identify Targets
- Three Ways to Improve the Sustainability of Your Lab’s Chemical Synthesis
- How to Scale Up a New Synthesis Reaction
- Computer-Aided Synthesis Reduces Complexity and Accelerates Novel Chemical Discoveries
Executive Summaries
Overcoming Key Challenges in Drug Discovery
This chapter explores the inherent challenges in drug discovery, including high costs, lengthy timelines, and the complexity of synthesizing novel compounds. It discusses how SYNTHIA™ Retrosynthesis Software can mitigate these risks by providing robust synthetic pathways, optimizing yields, and offering alternatives to patented routes. The chapter highlights the software's role in reducing uncertainty and enhancing the efficiency of the drug development process.
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Using High-Throughput Screening to Rapidly Identify Targets
by John F. Conway, Graeme Dennis, Amandeep Ratte
High-throughput screening (HTS) is a critical tool in drug discovery, allowing researchers to quickly identify potential drug candidates from vast libraries of compounds. This chapter details how SYNTHIA™ integrates with HTS processes to streamline the identification of viable targets. By leveraging AI-driven methodologies, the software enhances hit rates and reduces lead times, making the screening process more cost-effective and efficient.
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Three Ways to Improve the Sustainability of Your Lab’s Chemical Synthesis
by Jonathon Moir, Phd, Natalie O’Neil, Phd
Sustainability is increasingly important in chemical synthesis. This chapter outlines three strategies to make laboratory practices more eco-friendly: adopting greener reagents, optimizing reaction conditions to minimize waste, and using SYNTHIA™ to design more sustainable synthetic routes. The software’s ability to incorporate green chemistry principles helps labs reduce their environmental footprint while maintaining high productivity.
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How to Scale Up a New Synthesis Reaction
by Michael J. Williams
Scaling up a synthesis from the lab to production scale is a complex task that requires careful planning and coordination. This chapter provides a step-by-step guide to scaling up reactions, emphasizing the importance of team collaboration and the role of SYNTHIA™ in identifying scalable synthetic pathways. The software aids in anticipating potential challenges and optimizing processes to ensure safe and efficient scale-up.
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Computer-Aided Synthesis Reduces Complexity and Accelerates Novel Chemical Discoveries
The final chapter focuses on the transformative impact of computer-aided synthesis planning. It highlights how SYNTHIA™ reduces the complexity of chemical synthesis by providing chemists with innovative pathways and decision support tools. By accelerating the discovery of novel compounds, the software plays a crucial role in advancing pharmaceutical research and development, ultimately leading to faster and more successful drug discoveries.
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