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个研讨会，讨论一个中型国家自动化学合成设施的最佳设计，该设施将作为创建和组织合成数据的连接点，以满足我们制造分子的能力的关键需求，使分子创新民主化，超越合成专家，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。虽然在过去的二十年中，用于制备生物分子（特别是DNA和蛋白质）的自动化过程的使用已经彻底改变了生物学研究的进步，但是与广泛的不同亚结构化学片段的自主连接相关的挑战已经阻碍了用于有机分子（例如小分子药物、材料和精细化学品）的完全合成的类似系统的开发。最近在化学、机器人、人工智能（AI）和云计算方面的变革性进展产生了新技术，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学合成成为可能。该研讨会将考虑组织一个设施的最佳方式，以保持国家竞争力，满足对分子快速增长的需求，在以前没有设施的领域有效运作，并作为合成化学和所有学科的颠覆性游戏改变者受益于非商业化合物的按需合成。研讨会还将考虑中型化学合成设施可以提供的独特培训机会，以及如何通过自动化扩大化学合成的可及性，以促进社区参与，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，与材料和生物技术应用中的潜在最终用户的分析仪器集成，教育工作者专注于未来化学职业的培训，以及已建立设施的主管讨论中等规模自动化合成设施的关键设计要素。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支持化学合成的发展所需的内容，材料科学和生物技术对新分子的需求，以及工业合作的整合以改善数据共享。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建造后运营和维护此类设施的备选方案。培训和教育讨论将考虑支持颠覆性的下一代分子制造商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，以解决交叉科学界关于设计自动化化学合成和民主化分子创新的中型设施的需求和优先事项。该奖项反映了NSF的法定使命，并被认为值得通过使用基金会的知识价值和更广泛的影响审查标准进行评估来支持。

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.