MsRI-Planning Workshop: National Center for Automated Chemical Synthesis and Democratized Molecular Innovation (ACSDMI)

在化学系的支持下，伊利诺伊大学厄巴纳-香槟分校的马丁·伯克教授正在组织一次研讨会，讨论自动化学合成中型国家设施的最佳设计，该设施将成为创建和组织合成数据的连接点，以满足我们在制造分子的能力方面的关键需求，使合成专家之外的分子创新民主化，并提供机会，有力地加快对我们的国家福利和安全至关重要的核心研究领域的进展。在过去的二十年里，生物分子，特别是DNA和蛋白质的自动化制备过程的使用彻底改变了生物学研究的进步，但与广泛的不同亚结构化学片段的自主连接相关的挑战阻碍了类似系统的发展，以完全合成有机分子，如小分子药物、材料和精细化学品。最近在化学、机器人学、人工智能(AI)和云计算方面取得的革命性进展产生了新的技术，这些技术有可能克服这些障碍，并使更广泛的化学空间的自动化化学合成成为可能。本研讨会将讨论如何组织一个设施的最佳方式，以保持国家对分子快速增长的需求的竞争力，有效地在一个以前没有以设施为重点的领域发挥作用，并成为合成化学和所有受益于按需合成非商业化合物的学科的颠覆性游戏规则改变者。在协同方面，研讨会还将考虑中型化学合成设施可以实现的独特培训机会，以及如何利用通过自动化扩大化学合成的机会来促进社区参与、教育和创新的多样化。研讨会将汇集合成自动化、传统合成化学、人工智能、用户界面和分析仪器集成方面的专家，与材料和生物技术应用领域的潜在最终用户合作，教育工作者专注于未来化学职业的培训，以及现有设施的主任，讨论中型自动化合成设施的关键设计元素。通过一系列精心组织的分组会议，与会者将探讨以下想法：1)建立一个支持民主化分子创新生态系统的设施，2)关键基础设施设计要素，3)运营和维护计划，以及4)培训和教育的关键方面。分子创新讨论将包括需要什么来支持化学合成的进步，材料科学和生物技术对新分子的需求，以及整合工业合作以改善数据共享。设施设计分组会议将包括机器人和软件需求、化学分析集成和用户界面等主题。运营和维护规划将考虑此类设施在建成后运行和维护的备选方案。培训和教育讨论将考虑支持具有颠覆性的下一代分子制造者社区所需的技能和经验。计划将研讨会成果整合到一份综合报告中，以满足交叉科学界在设计用于自动化化学合成和民主化分子创新的中型设施方面的需求和优先事项。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势和更广泛的影响审查标准进行评估，被认为值得支持。

With support from the Division of Chemistry, Professor Martin Burke at the University of Illinois at Urbana-Champaign is organizing a workshop to discuss the optimal design of a midscale national facility for automated chemical synthesis that would act as a nexus point for the creation and organization of synthetic data to address critical needs in our ability to make molecules, democratize molecular innovation beyond synthetic experts, and provide opportunities to powerfully accelerate advances in core research areas critical to our national welfare and security. While the use of automated processes for the preparation of biomolecules, particularly DNA and proteins, has revolutionized the advancement of research in biology over the past two decades, challenges associated with the autonomous linkage of a wide range of different substructural chemical fragments have hampered the development of similar systems for the complete synthesis of organic molecules such as small-molecule pharmaceuticals, materials, and fine chemicals. Recent transformative advances in chemistry, robotics, artificial intelligence (AI), and cloud computing have yielded new technologies that have the potential to overcome these hurdles and make automated chemical synthesis across a wider swath of chemical space possible. This workshop will consider the best way to organize a facility to maintain national competitiveness with the rapidly growing demand for molecules, to effectively function in a field that has not previously been facility-focused, and to serve as a disruptive game-changer for synthetic chemistry and all disciplines that benefit from on-demand synthesis of non-commercial compounds. Synergistically, the workshop will also consider unique training opportunities that a midscale facility for chemical synthesis could enable and how the broadening of access to chemical synthesis via automation could be leveraged to advance community engagement, education, and the diversification of innovation.The workshop will bring together experts in synthetic automation, traditional synthetic chemistry, artificial intelligence, user interfaces, and analytical instrumentation integration with potential end users in material and biotechnology applications, educators focused on training for future chemical careers, and directors of established facilities to discuss critical design elements for a mid-scale automated synthesis facility. Through a series of carefully organized breakout sessions, participants will explore ideas for: 1) establishing a facility that supports an ecosystem for democratized molecular innovation, 2) critical infrastructure design elements, 3) plans for operation and maintenance, and 4) key aspects of training and education. Molecular innovation discussions will include what is needed to support the advance of chemical synthesis, the demand for new molecules in materials science and biotechnology, and the integration of industrial collaboration for improved data sharing. Facility design breakout sessions will include topics such as robotics and software needs, chemical analysis integration, and user interface. Operation and maintenance planning will consider options for running and maintaining such a facility post-construction. Training and education discussions will consider the skills and experiences necessary to support a disruptive next-generation community of molecule makers. Integration of workshop outcomes into a synthesized report is planned, to address the needs and priorities of intersecting scientific communities regarding the design of a mid-scale facility for automated chemical synthesis and democratized molecular innovation.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.