The fifth modeling workshop (5MW) was held in June 2023 at Favrholm, Denmark and sponsored by Recovery of Biological Products Conference Series. The goal of the workshop was to assemble modeling practitioners to review and discuss the current state, progress since the last fourth mini modeling workshop (4MMW), gaps and opportunities for development, deployment and maintenance of models in bioprocess applications. Areas of focus were four categories: biophysics and molecular modeling, mechanistic modeling, computational fluid dynamics (CFD) and plant modeling. Highlights of the workshop included significant advancements in biophysical/molecular modeling to novel protein constructs, mechanistic models for filtration and initial forays into modeling of multiphase systems using CFD for a bioreactor and mapped strategically to cell line selection/facility fit. A significant impediment to more fully quantitative and calibrated models for biophysics is the lack of large, anonymized datasets. A potential solution would be the use of specific descriptors in a database that would allow for detailed analyzes without sharing proprietary information. Another gap identified was the lack of a consistent framework for use of models that are included or support a regulatory filing beyond the high-level guidance in ICH Q8–Q11. One perspective is that modeling can be viewed as a component or precursor of machine learning (ML) and artificial intelligence (AI). Another outcome was alignment on a key definition for “mechanistic modeling.” Feedback from participants was that there was progression in all of the fields of modeling within scope of the conference. Some areas (e.g., biophysics and molecular modeling) have opportunities for significant research investment to realize full impact. However, the need for ongoing research and development for all model types does not preclude the application to support process development, manufacturing and use in regulatory filings. Analogous to ML and AI, given the current state of the four modeling types, a prospective investment in educating inter-disciplinary subject matter experts (e.g., data science, chromatography) is essential to advancing the modeling community.

中文翻译：

---

生物制药行业计算机模拟工具的实施现状——第五届建模研讨会论文集


第五次建模研讨会 (5MW) 于 2023 年 6 月在丹麦法夫霍尔姆举行，由生物制品回收会议系列赞助。研讨会的目标是聚集建模从业者来回顾和讨论自上次第四次小型建模研讨会（4MMW）以来的现状、进展，以及生物过程应用中模型的开发、部署和维护的差距和机会。重点领域有四个类别：生物物理学和分子建模、机械建模、计算流体动力学 (CFD) 和植物建模。研讨会的亮点包括新型蛋白质结构的生物物理/分子建模、过滤机械模型以及使用生物反应器 CFD 进行多相系统建模的初步尝试，并战略性地映射到细胞系选择/设施匹配。更全面定量和校准生物物理学模型的一个重大障碍是缺乏大型匿名数据集。一个潜在的解决方案是在数据库中使用特定描述符，以便在不共享专有信息的情况下进行详细分析。发现的另一个差距是缺乏一致的模型使用框架，这些模型包含或支持超出 ICH Q8-Q11 高级指南的监管备案。一种观点认为，建模可以被视为机器学习 (ML) 和人工智能 (AI) 的组成部分或先驱。另一个成果是对“机械建模”的关键定义进行了调整。与会者的反馈是，会议范围内的所有建模领域都取得了进展。某些领域（例如生物物理学和分子建模）有机会进行大量研究投资以实现全面影响。 然而，对所有模型类型进行持续研究和开发的需求并不排除在监管备案中支持工艺开发、制造和使用的应用。与机器学习和人工智能类似，考虑到四种建模类型的现状，对跨学科主题专家（例如数据科学、色谱）的教育进行前瞻性投资对于推动建模社区的发展至关重要。