Technical Program
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May 21, 2024 |
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7:30 - 8:30 |
Breakfast |
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| Session 1: 8:30 - 11:30 | Conference Opening Session | |
| 8:30 - 8:40 | Opening Remarks | Chairs: Carla Luciani (Vertex) , Nima Yazdanpanah (Procegence), Moiz Diwan (Abbvie) |
| 8:40 - 9:20 | Industry perspective | Pablo Rolandi (Amgen): Algorithms, Data, and Equations... is all you need? |
| 9:20 - 10:00 | Academic perspective | Richard Braatz (MIT): Modeling and Simulation Applications in the Pharmaceutical Industry |
| 10:00 - 10:40 | Industry perspective | Jack Prior (Sanofi): Past, Present, and Future: A Journey Through Data-Driven Bioprocess Modeling |
| 10:40 - 11:20 | Government perspective | Thomas O. Connor (US FDA): Advancing Modeling and Simulation for Pharmaceutical Manufacturing at CDER |
| 11:20 - 11:30 | Q&A | |
11:30 - 12:30 |
LunchLunchtime roundtable discussion sponsored by Rescale: Innovation Acceleration and Governance in Data-Driven and AI-Enabled Simulation Breakthroughs in pharmaceutical research and innovations in chemical engineering increasingly rely on advanced computing. The R&D teams harnessing the latest simulation applications and specialized hardware are generating an explosion of data full of insights that often go uncaptured or missed by the teams that need them. As new methods and technologies become available, product development leaders are turning to cloud R&D platforms for visibility on project insights, governance on data standards, and reproducibility of processes. Cloud-based workflow development enables scientists and engineers to collaborate across disciplines while empowering business leaders to gain historical insights and set standards for workflow automations that accelerate time to market. Rescale is the leading cloud-based platform for HPC+AI-enabled product innovation, serving life sciences customers developing new drug formulations, optimizing manufacturing processes, and driving breakthroughs in genomics. Join us for an open discussion on the trends and challenges facing R&D and technology leaders with use cases and insights from industry experts. Workshop facilitators:
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| Session 2: 12:30 - 15:00 | Data-driven Models, Machine Learning, Artificial Intelligence The iterative, design-make-test process of drug development is long, arduous, and costly. As is the lab work- and material-intensive task of drug substance and drug product process development. To accelerate these activities, as well as develop more effective pharmaceuticals that are manufactured sustainably at lower costs, we need to take advantage of exponentially-improving technologies. Data-driven modeling, machine learning, and artificial intelligence are such technologies. This session is intended to bring together academic and industry researchers who are advancing the state of the art in the data-driven modeling, machine learning and artificial intelligence to enable pharmaceutical discovery, development, and manufacturing. Chairs: Daniel Griffin (Amgen), Neda Nazemifard (Takeda), and Connor Coley (MIT) |
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| 12:30 - 13:00 | Keynote Speaker - Klavs Jensen | AI and Automation in Chemical Discovery and Development |
| 13:00 - 13:20 | A. Hacioglu and H. Jooya | Matlab Data Processing and AI for Molecular Chemistry |
| 13:20 - 13:40 | J. Tabora, H. Chang, and E. Mumford | Application of Gaussian Processes to Pharmaceutical Process Development |
| 13:40 - 14:00 | L. Pereira Diaz, A. Ramirez Galilea, A. Kukor, N. Nazemifard, and M. Henson | Advancing Solubility Prediction Using an AI-Driven Tool for Resource Optimization in Pharmaceutical Research |
| 14:00 - 14:20 | J. Zhao, G. Tian, A. Koolivand, W. Yang, J. Das, X. Xu, and T. O'Connor | Advanced Control of Continuous Pharmaceutical Manufacturing Processes: A Case Study on the Application of Artificial Neural Network for Predictive Control of a CDC Line |
| 14:20 - 14:40 | M. A. McDonald, B. A. Koscher, R. B. Canty, and K. F. Jensen | Discover of Small Molecules By Coupling Generative, Retrosynthesis, and Property Models in an Iterative Robotic Platform |
| 14:40 - 15:00 | R. El-khawaldeh and J. Hein | Diverse Scales, Unified Vision: Computer Vision in Process Chemistry |
15:00 - 15:30 |
Coffee Break |
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| Session 3: 15:30 - 18:00 | Industrial Application of Modeling and Simulation This interactive session will highlight the impact modeling & simulation is making in pharmaceutical process development, industrialization, commercialization, and/or manufacturing. Real-world examples from all stages of process/product lifecycle and modalities and mathematical approaches will be discussed. Presenters with passion for making tangible impact through modeling and simulation are encouraged to submit their abstract/presentation. Chairs: Boung Wook Lee (Sanofi) , Jasmine Rowe (Merck) |
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| 15:30 - 16:00 | M. Sadeghi, X. Yang, R. Guo, M. A. Bellucci, J. Quino, E. L. Buckle, M. L. Nisbet, Z. Yang, C. Greenwell, D. Gorka, G. P. F. Wood, F. C. Pickard IV, G. Sun, S. Wen, J. Krzyzaniak, P. A. Meenan, and B. C. Hancock | Investigating the Structural Differences and Dynamic Relationship between Nirmatrelvir Solid Forms (Paxlovid™) |
| 16:00 - 16:20 | K. Roffi | A Digital Twin for High-Altitude Shipping Simulation of Pre-Filled Syringes |
| 16:20 - 16:40 | M. Ahmadi, T. El Geitani, S. Golshan, S. Jafari Kang, J. De Faria, I. Mirzaee, A. Ayotte, B. Smith, B. Gorski, F. Schlegel, P. A. Rolandi, and J. Thomas | Transforming Process Development: Utilizing an End-to-End Mixing Analysis Toolkit to Replace Traditional Wet Mixing Studies |
| 16:40 - 17:00 | T. Rosenbaum, A. Werneth, S. Sharif, T. Wilkens, J. Gamble, J. Engstrom, and Y. Melkeri | Population Balance Modelling of Integrated Crystallization and Wet Milling Process to Derisk Tech Transfer |
| 17:00 - 17:20 | W. Johnson, A. Ferdman, S. Kiriakov, K. Dray, B. Weston, B. Gordon, and A. Nielsen | From Genetic Design to Bioprocess Performance: Toward Holistic Optimization of Upstream Bioprocesses across Modalities |
| 17:20 - 17:40 | A. L. P. Queiroz | Model-Driven Transfection Process Development |
| 17:40 - 18:00 | S. V. Muddu, A. Pandit, Y. Wei, Y. Yang, W. Tang, N. Nazemifard, C. D. Papageorgiou, G. Barbastathis, R. Braatz, and A. S. Myerson | A Coupled PBM-HT Framework for Real-Time Estimation of Key CQAs of API Drying Using Afds |
18:15 - 19:30 |
Reception and poster session |
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| Poster-1 | P. Nguyen | Modeling and Simulation Applications in Selecting and Operating Equipment in Pharmaceutical Manufacturing |
| Poster-2 | F. Xu | Holistic Real-Time Monitoring of Cell Culture Process By Integration of Machine Learning Techniques |
| Poster-3 | Glenn Longwell, J. Hodges, T. Eppinger, and R. Aglave | How Adding Machine Learning to Simulation Brings Greater Value for Process Industries |
| Poster-4 | S. Kahan | Advancing Cell Proliferation Prediction for Sustainable Cellular Agriculture |
| Poster-5 | N. Razavilar | Molecular Dynamic Simulations of a Disordered Drug-Loaded Block Copolymer Micelle in Aqueous Solutions |
| Poster-6 | G. Vishal, S. Dani, M. Sohail, N. Kushwaha, and B. K. David | Predicting the Mixing Parameters for the Octagonal Blender |
| Poster-7 | M. Mohammed and C. Siletti | Simulation of Clean Room Open Processing Constraints for Bioprocessing |
| Poster-8 | L. Attia, D. Nguyen, D. Gokhale, T. Zheng, and P. Doyle | Predicting Drug Nanoparticle Crystallinity Using Molecular Simulations |
| Poster-9 | D. Barrasso, Y. Melkeri, A. Chowdhury, and S. Bermingham | Revolutionizing Pharmaceutical R&D and Operations through Digital Applications of Mechanistic Models and Perspectives on Regulatory Challenges |
| Poster-10 | M. Zaloznik, B. Kamenik, M. Hribersek, P. Dsouza, J. Remmelgas, J. Khinast, P. Pande, M. Sulaiman, E. Metsi-Guckel, A. Sarkar, P. Kazarin, F. Paolini, F. DeMarco, and M. Zadravec | Equipment Capability Curves for Large-Scale Freeze-Dryers |
| Poster-11 | M. Mummudi Boopathy and P. Dongaonkar | Reduced Order Models (ROMs) – a Gateway to Geometry Aware Digital Twins |
| Poster-12 | A. Hacioglu, R. Holt, and H. Jooya | Enhancing Pharmaceutical Processes with Matlab and Simulink: A Compilation of Industrial Success Stories |
| Poster-13 | H. Youssef Ismail, N. Sarkar, M. Murr, D. Griffin, and M. Beaver | ACP: Advanced Crystallization Platform |
| Poster-14 | G. Vishal, N. Kushwaha, M. Sohail, S. Dani, and B. K. David | Thermal Analysis Using Computational Fluid Dynamics (CFD) for a Drug Enclosed in Borosilicate Glass within the Oncosleeving Machine |
| Poster-15 | S. Pantaleev, L. Mariano, and J. J. Sibychan | Combining Artificial Intelligence and Simulation for Oral Solid Dosage Manufacturing Process Optimization |
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May 22, 2024 |
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7:00 - 8:00 |
Breakfast |
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| Session 4: 8:00 - 10:00 | Model Guided Approach Through Pharmaceutical Process Development and Commercialization This session features the evolving roles of modeling and simulation tools supporting R&D to chemistry, manufacturing, and control Chair: Shujauddin Changi (Vertex), Lei Cao (Abbvie) |
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| 8:00 - 8:20 | J. Hannon | Let’s Get Your Data up to Standard |
| 8:20 - 8:40 | L. Cao, S. Altern, C. Wang, and M. Diwan | Leveraging Mechanistic Modeling in Bioprocess Development: Abbvie’s Journey from Building Modeling Platforms to Solving Multiscale, Multidisciplinary Problems |
| 8:40 - 9:00 | M. Horner | Regulatory Frameworks for Knowledge-Based and Data-Based Models: Where Are We Now? |
| 9:00 - 9:20 | Y. Abramov | Applications of Virtual Solvent Screening for Pharmaceutical Crystallization |
| 9:20 - 9:40 | T. Briskot, S. Kluters, and J. Studts | Model-Informed Downstream Process Development and Filing |
| 9:40 - 10:00 | K. Dray, A. Prendeville, J. McMahan, W. Johnson, and B. Gordon | Reducing Complexity of AAV Production Models for Industrial Application |
10:00 - 10:30 |
COFFEE BREAK |
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| Session 5: 10:30 - 11:30 | Panel Discussion on Modeling and Simulation in Pharmaceutical Development and Manufacturing The panel discussion will draw together a group of experts from different perspectives including academia, industry and regulators to discuss how to realize the value proposition of modeling and simulation tools in the pharma sector. It will be a broad ranging discussion addressing the current barriers to adoption of M&S approaches and some of the possible mitigations spanning regulatory, business case, talent and technical aspects. The panel will begin with a short opening remarks from each of the panelists followed by a Q&A and roundtable discussion. Chair: Jessica Whelan (UC Dublin) and Elcin Icten (Amgen) Panelists: Carla Luciani (Vertex), Zoltan Nagy (Purdue), Thomas O'Connor (US FDA), Leticia Martinez-Peyrat (ANSM), Brian Glennon (APC Ltdd) |
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11:30 - 12:30 |
LunchLunchtime workshop sponsored by Siemens: "Deployment of Digital Twins across the Organization" Learn how to leverage the use of digital twins of pharmaceutical processes to accelerate R&D and engineering and improve operations through deployment of models across the organization via the gPROMS Web Applications. The workshop will cover:
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| Session 6: 12:30 - 15:00 | Mechanistic and Hybrid Modeling This session will include presentations describing mechanistic and hybrid modeling approaches and tools for pharmaceutical process development and discovery. Chairs: Pablo Rolandi (Amgen), Zoltan Nagy (Purdue) |
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| 12:30 - 13:00 | Keynote Speaker (Nima Yazdabpanah) | First-Principle Mechanistic Models from Conception to Implementation |
| 13:00 - 13:20 | A. Mattei, R. Hong, Y. M. Liu, and A. Sheikh | Efficient Crystal Structure Prediction for Structurally Related Molecules with Accurate and Transferable Tailor-Made Force Fields |
| 13:20 - 13:40 | Y. Jangjou | An Integrated Workflow for Drug Substance Digital Twin Development: An End-to-End Solution |
| 13:40 - 14:00 | S. Jafari Kang, S. Golshan, M. Ahmadi, T. El Geitani, I. Mirzaee, J. Fisher, G. Stimpfl, G. Brazier, A. Nehring, M. A. Valderrama-Gomez, E. Icten Gencer, F. Schlegel, P. A. Rolandi, and J. Thomas | Virtual Bioreactors Part I: Optimizing Bioreactor Performance through in silico Models |
| 14:00 - 14:20 | E. Icten Gencer, M. A. Valderrama-Gomez, S. Jafari Kang, W. Heymann III, I. Mirzaee, V. Montalvo, J. Garcia, M. Burgos, F. Schlegel, and P. A. Rolandi | Virtual Bioreactors Part II: Integrating Predictive Metabolic Modeling for Bioprocess Optimization |
| 14:20 - 14:40 | B. Weston, R. Kommajosyula, N. De La Torre, W. Johnson, and B. Gordon | Comparative Evaluation of Mechanistic and Machine Learning Models for CHO Cell Bioprocess Optimization |
| 14:40 - 15:00 | S. Thakur, A. Bonnassieux, K. Overhoff, and G. Connelly | Experimentally Validated DEM Model to Understand and Predict Discharge Rate from Powder Dosing Valve in Continuous Manufacturing |
15:00 - 15:30 |
Coffee BreakCoffee break roundtable discussion hosted by Vertex Pharmaceuticals: "Exploring a Career Path in Modeling and Simulation within the Pharmaceutical Industry" Join us for an insightful discussion and connect with peers and industry leaders in the pharmaceutical Modeling and Simulation (M&S) sector as they share their career journeys. If you are looking to enter the pharmaceutical industry or are eager to explore diverse career paths, this engaging and interactive discussion is your opportunity to delve into career choices, successes, and challenges. Don't miss out! Join us! |
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| Session 7: 15:30 - 18:00 | Process Design and Process Control Applications This session within the PD2M Forum delves into cutting-edge process design and control application for modeling, simulating, optimizing pharmaceutical processes from discovery to manufacturing. Professionals and researchers will share insights, address challenges, and learn about the latest technologies and advancements impacting the industry. Chairs: Thomas O'Connor and Kaschif Ahmed |
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| 15:30 - 16:00 | Keynote Speaker - Moritz von Stosch | Learning More with Less: Hybrid Models, Transfer Learning, and Calibration Designs for Efficient Knowledge Transfer in Process Development. |
| 16:00 - 16:20 | A. Dasgupta, A. Anand, J. Thomas, A. Rajendran, and J. Kinross | Coupled Hydrodynamic – Kinetic Mammalian Bioreactor Models for Process Optimization |
| 16:20 - 16:40 | M. Sen, K. Ghosh, D. Casas Orozco, D. Mendes de Oliveira, S. Gupta, S. Butikofer, S. Jonuzaj, J. Wang, and S. Garcia Munoz | Application of Models in Pharmaceutical Process R&D and Manufacturing Operations |
| 16:40 - 17:00 | N. Ghadipasha | Using High-Fidelity Models for System Model Development and in-Silico Design Space Generation. Application to an Integrated Reaction-Purification-Downstream Process |
| 17:00 - 17:20 | M. Maritato, E. Icten Gencer, X. Zhu, D. Shen, J. Pollastrini, J. Sao, M. Ingram, J. Bernacki, C. Ruitberg, G. Scalzo, A. Ganguly, D. Greene, B. Yavuz, M. Chaves, F. Schlegel, and P. A. Rolandi | Accelerating Drug Product Process Development: An End-to-End in silico Modeling Framework |
| 17:20 - 17:40 | N. Metta and J. Mack | Optimizing Pharmaceutical Processes Performance through Hybrid Models, Machine Learning and Advanced Process Control |
| 17:40 - 18:00 | N. Kannan and P. Donnellan | Modelling Process Data Using Time-Series Based AI Techniques: A Case Study of Multivariate Temperature Modelling of a Static Mixer |
| 18:15 - 19:30 | PD2M Board Meeting (Open to board members and conference attendees) | |
