FLEXICHEM: Flexible Digital Chemical Manufacturing Through Structure/Reactivity Relationships

我们将创建一个人工智能系统，该系统将自我优化化学制造，以灵活地适应外部因素的变化（例如供应链问题，成本，环境），利用化学分子性质图来建议替代合适的试剂，催化剂，溶剂。这种快速、灵活的系统对于通过开发一个反应更灵敏的化学制造框架来促进制造业至关重要。在这里，这些路线将根据我们的工业伙伴的利益为农用化学品的应用量身定制，但技术的组成部分将在不同的化学制造部门之间转让。我们将组装和编程一个能够进行几种离散化学处理选项的系统，包括(i)改变催化剂或试剂的选择；（ii）改变反应器配置（例如批量到CSTR）； （iii）基于对外部影响的响应的不同要求（例如由于covid - 19造成的成本变化）。该系统将由计算智能算法编程，使过程能够自我优化，而无需用户交互或他们的直接知识（即不可见），并通过用户友好的界面进行访问。

We will create an artificially intelligent system which will self-optimise chemical manufacturing to flexibly adapt to variation in external factors (e.g. supply chain issues, cost, environment) by utilising chemical molecular property maps to suggest alternative suitable reagents, catalyst, solvents. This rapid, flexible system will be essential for promoting manufacturing by developing a more responsive chemical manufacturing framework. Here the routes will be tailored for agrochemical applications in line with our industrial partners' interests, but the components of the technology will be transferable across differing chemical manufacturing sectors. We will assemble and program a system capable of conducting several discrete chemical processing options including (i) changing catalyst or reagent choice (ii) altering reactor configuration (e.g. batch to CSTR) (iii) differing requirements based on response to external influences (e.g. cost changes due to COVID19). The system will be programmed by computationally intelligent algorithms which enable self-optimisation of the processes without user interaction or their immediate knowledge (i.e. being invisible) and made accessible through a user-friendly interface.