2022 Scientific Computing Days
Celebrating 10 years: Looking Back, Looking Forward
Scientific Computing: In the Field, Around the World, and On The Edge

Event Dates
September 7, 2022 (9:00AM – 4:30PM ET) * VIRTUAL
September 8, 2022 (9:00AM – 4:30PM ET) * VIRTUAL
September 8, 2022 (4:30PM – 6:00PM ET) * HYBRID
(Hybrid: virtual and in-person attendance)

Co-Hosts
FDA Scientific Computing Board (SCB)
Office of Regulatory Affairs (ORA)
Office of the Commissioner (OC)

Co-Chairs
Steve Condrey, MPS (ORA)
Tyler Peryea (OC)

View Recording Day 1: 9/7

View Recording Day 2: 9/8

View Posters

View Recording 10 Yr Celebration

Questions?
Email FDASCB@fda.hhs.gov

View Program
View Posters

Day 1 Agenda
Day 2 Agenda

Day 1: September 7, 2022
Time (EDT)
9:00AM – 9:10AM		Steve Condrey, MPS SCD Co-chair FDA/ORA Day 1 - Welcome Speaker Bio Steve Condrey, MPS is a program analyst in the Office of Quality Management Systems, Office of Regulatory Affairs. Steve has been with the FDA since 1994, starting as a Consumer Safety Technician in Los Angeles District. Steve was an Import Operations Consumer Safety Officer (CSO) from 2002-2012 before becoming a Quality System Manager. He has worked with programmatic data since 1996, performing analyses of Freedom of Information requests, recall audits, inspectional hours, compliance branch case activity, import entry reviews, cost of poor quality related to improper sample transport, and cost savings related to remote auditing activities. In 2019, he joined the staff of OQMS where he worked with the Document Control, Audit, and QMS Training teams. Steve has worked with R and Python since 2017 and has recently learned statistical processing for the social sciences, an IBM branded statistical analysis software. Steve is a certified Six Sigma Black Belt, certified ISO 9001 Lead Auditor, and American Statistical Association (ASA) Graduate Statistician.
9:10AM – 9:20AM		Robert Califf, MD Commissioner FDA Opening Remarks Speaker Bio Dr. Robert M. Califf was confirmed earlier this year as the 25th Commissioner of Food and Drugs. He also served in 2016 as the 22nd Commissioner, and immediately prior to that as the FDA’s Deputy Commissioner for Medical Products and Tobacco. He has spent a good portion of his career affiliated with Duke University, where he served as a professor of medicine and vice chancellor for clinical and translational research, director of the Duke Translational Medicine Institute, and was the founding director of the Duke Clinical Research Institute. He has had a long and distinguished career as a physician, researcher, and leader in the fields of science and medicine. He is a nationally recognized expert in cardiovascular medicine, health outcomes research, health care quality, and clinical research, and a leader in the growing field of translational research, which is key to ensuring that advances in science translate into medical care.
9:20AM – 9:30AM		Mark Walderhaug, PhD Associate Office Director Office of Biostatistics and Pharmacovigilance FDA/CBER Scientific Computing Days: Celebrating 10 Years Looking Back, Looking Forward Speaker Bio Mark Walderhaug, PhD is a microbiologist in FDA's Center for Biologics Evaluation and Research (CBER). He received his PhD from Vanderbilt University’s Department of Physiology in the School of Medicine. He works in the Office of Biostatistics and Pharmacovigilance where he is the Associate Office Director for Risk Assessment. He is currently working on supporting the CBER computational resources in the development of high-performance computing solutions that protect and promote health. He is a member of CBER’s Computational Science Review Committee, and CBER’s Scientific Computing Subcommittee. He is an advisor to FDA’s Scientific Computing Board and to FDA’s High Performance Computing Governance Advisory Board.
		Hesha J. Duggirala, PhD, MPH Epidemiologist FDA/CVM Scientific Computing Days: Celebrating 10 Years Looking Back, Looking Forward Speaker Bio Hesha J. Duggirala, PhD, MPH is an epidemiologist at the FDA’s Center for Veterinary Medicine (CVM). She received her Doctor of Philosophy with a concentration in epidemiology from the Tulane University School of Public Health and Tropical Medicine. Dr. Duggirala joined FDA in 2001 as an epidemiologist in the Office of Surveillance and Biometrics at the Center for Devices and Radiological Health. In 2007, she co-founded, and continues to chair, the FDA Data Science Council (formerly Data Mining Council). This group advises and provides support to data mining programs across the Agency. She was the lead author of the Council’s seminal white paper on data mining at the FDA. Dr. Duggirala currently serves as an epidemiologist in CVM’s Office of Surveillance and Compliance where she provides epidemiologic support to various groups across CVM as well as developing a framework for the Center’s big data analytics programs.
9:30AM – 10:10AM		Meghan Fetterly Branch Chief Division of Import Operations Import Technical Assistance Branch FDA/ORA Analytical Methods for a Risk Based Approach Q&A Speaker Bio Meghan Fetterly is a Branch Chief with the Division of Import Operations, Import Technical Assistance Branch providing technical assistance both internally to field staff and externally to brokers and trade partners within the FDA import program. Prior to her current position, Ms. Fetterly was a Supervisory Consumer Safety Officer and Consumer Safety Officer handling import operations at the headquarter and field level.
		Lija V. Fellows Consumer Safety Officer FDA/ORA Analytical Methods for a Risk Based Approach Q&A Speaker Bio Ms. Lija Fellows is a Consumer Safety Officer with the Division of Operations, Import Program Development Branch working to develop and enhance import programs within FDA. Prior to her current position, Ms. Fellows was a Supervisory Consumer Safety Officer, Import Program Manager, Domestic Sample Monitor, Interstate Travel Program Monitor, and Consumer Safety Officer in the US Food and Drug Administration's San Francisco district office. In addition, Ms. Fellows was a member of the California Food Emergency Response Team (CalFERT).
10:10AM – 10:40AM		Greg Corrado, PhD Distinguished Scientist Google Research Modern Machine Learning in Medical Devices: Mechanisms, Challenges, and Opportunities Q&A Speaker Bio Greg Corrado is a Distinguished Scientist at Google Research. He joined Google to push the frontier of biologically inspired computing, and in 2011 he co-founded the Google Brain Team, which has helped to catalyze the broad adoption of deep neural networks across technology companies worldwide. Within Google, he spearheaded teams which applied deep learning to image recognition, machine translation, search ranking, text synthesis, advertising, and recommendation systems. As an academic, he has published in a wide array of fields ranging across behavioral economics, neuromorphic device physics, systems neuroscience, artificial intelligence, and scalable machine learning. Greg has a deep and abiding passion for applying Al for social good, and presently leads the Google's Health Al division, whose charter is to maximize the positive human impact of Al technologies in health.
10:40AM – 11:00AM		David J. Lipman, MD Senior Science Advisor for Bioinformatics and Genomics FDA/CFSAN GenomeTrakr @10: Setting the principles and practices for a Global Digital Immune System Speaker Bio Before joining FDA/CFSAN in March 2021, Dr. Lipman worked at the National Institutes of Health for 36 years and served as the founding Director of the National Center for Biotechnology Information (NCBI) at the National Library of Medicine/NIH. Under Dr. Lipman's leadership, NCBI created and managed a number of the most heavily used biomedical information resources including PubMed, PubMed Central, GenBank, SRA, and RefSeq. The Pathogen Detection team at NCBI also works closely with FDA on GenomeTrakr. Dr. Lipman's own research has focused on molecular evolution, molecular epidemiology, comparative genomics, and the development of computational tools including BLAST. He is an elected member of the National Academy of Sciences, the National Academy of Medicine, and the American Academy of Arts and Sciences.
11:00AM – 12:00PM		Poster Session “Top 5”
12:00PM – 12:45PM		Lunch
12:45PM – 2:15PM		AI and Its Use in the 3Rs Organizers: Donna Mendrick, PhD (FDA/NCTR), Kevin Snyder (FDA/CDER) Breakout Description and Session Agenda There is a need to improve the assessment of toxicity and efficacy of FDA-regulated products and a movement to lessen the need for animals. It is hoped that artificial intelligence approaches can provide one tool that might help us accomplish these goals. This session will have presentations from FDA and EPA on research underway to investigate such approaches. Looking Back 10 Years: AI and the 3Rs (Donna Mendrick, PhD - FDA/NCTR) Performance Expectations for New Approach Methods in Predicting Effects from Repeat Dose Animal Studies (Katie Paul-Friedman, PhD, EPA) Using Advanced Modeling Techniques for Building Robust, Transparent, and Interpretable Predictive Models. Decoding the Structure-Activity Relationship (Svetoslav Slavov, PhD, FDA/NCTR/) Using AI to Simulate Clinical Chemistry and Hematologic Data of Untested Compounds (AnimalGAN) (Weida Tong, PhD, FDA/NCTR) A Bayesian Approach to Detection of Treatment-Related Effects in Toxicology Studies by Borrowing Information from Historical Control Animals (Md Yousuf Ali, PhD, FDA/CDER)
2:15PM – 2:30PM		Break
2:30PM – 4:30PM		Home on the OpenSource Range: Empowering FDA scientists with OpenSource Tools Organizers: Raju Rayavarapu, PhD (FDA/CTP), Alexis Norris, PhD (FDA/CVM) Breakout Description and Session Agenda We begin the session with an overview of the agency’s diligent work to ensure that FDA scientists have the tools they need, when needed, to achieve the agency’s mission. The FDA continually improves its powerful stable of available OpenSource tools and engages with other health professionals by sharing its own internally developed software. This session will highlight four OpenSource tools that enable building new things that translate into solutions here at the FDA (R, checkmk, GitLab, openFDA). Deploying the tools requires significant infrastructure, and thus, the session includes a panel discussion with representatives of many FDA platforms. By leveraging OpenSource tools for development, collaboration, standardization, and infrastructure, the agency ensures that the best solutions are available without reinventing the wheel. Looking Back 10 Years: OpenSource Tools & Infrastructure (Mark Walderhaug, PhD - FDA/CBER) Scalable Analysis: R Consortium (Joseph Rickert, MA, MS - RStudio) Monitoring: Checkmk (Federico Grau - FDA/ODT) Standardization & Collaboration: GitLab (Dave Guenther - FDA/CDER) Sharing: openFDA (Ann Ferriter - FDA/CDRH) Infrastructure Panel Discussion: High Performance Computing (HPC) on Premise and Cloud—Strengths, Weaknesses, Opportunities, Threats GalaxyTrackr: James Pettengill, PhD - FDA/CFSAN Betsy: Kenny Cha, PhD - FDA/CDRH HIVE: Konstantinos Karagiannis, PhD - FDA/CBER precisionFDA: Omar Serang - DNAnexus FiDLE: Supriya Pyne, MS, MBA AWS & Raven: Tom Farrell - FDA/CFSAN Looking Ahead 10 Years (Monica Pampell, MA, MS - FDA/OC)
4:30PM – 4:35PM		Steve Condrey, MPS SCD Co-chair FDA/ORA Day 1 Closing

Day 2: September 8, 2022
Time (EDT)
9:00AM – 9:10AM		Tyler Peryea SCD Co-chair FDA/ODT Day 2 - Welcome Speaker Bio Tyler Peryea is a cheminformatician in the Health Informatics Staff, Office of Data, Analytics, & Research, Office of the Commissioner. He supports the Global Substance Registration System (GSRS) project which coordinates with all FDA centers to link common data together in a standardized and easy-to-use open-source framework for the Health Informatics Staff, Office of Data, Analytics, & Research, Office of the Commissioner. He has over 15 years of experience in software development, scientific data management, and general data science. Before joining the FDA, Tyler spent seven years at the National Center for Advancing Translational Sciences (NIH NCATS) serving as a mentor to six data science and software engineering students while developing a number of open-source software applications to include, but not limited to “InXight Drugs”, “GSRS”, “MolVec”, and “pharos.” He also served as a liaison for the “Biomedical Data Translator” project executing six hack-a-thons, resulting in dozens of high quality open-source tools and open datasets for distributing, interpreting and contextualizing scientific data.
9:10AM – 9:40AM		Vid Desai Chief Information Officer FDA/ODT Modernization in Action Q&A Speaker Bio As the FDA's Chief Information Officer (CIO) in the Office of Digital Transformation (ODT), Mr. Desai sets and leads the agency's IT strategy, as well as the agency's enterprise IT, data management, and cybersecurity. The ODT oversees the overall FDA IT spend of more than $750M and a staff of around 2,500 employees and contractors. Vid is a seasoned technology leader with more than 30 years of experience in the IT field, and healthcare and life sciences industries. Vid has previous experience working for large pharmaceutical and medical device companies, and clinical research organizations (CRO), including Quintiles Transnational, where he served as executive director, Global IT Infrastructure.
9:40AM – 10:25AM		Malin Fladvad, PhD Head of WHODrug Product Portfolio Uppsala Monitoring Centre ISO IDMP - Bringing the Global Identifiers to Life Q&A Speaker Bio Malin Fladvad is Head of WHODrug Product Portfolio at Uppsala monitoring Centre (UMC), managing WHODrug dictionaries that are used for identification of medicinal products in safety monitoring and engaging in various efforts for global implementation of the ISO standard for Medicinal Product Information (IDMP). Before joining UMC, Malin worked with quality of Biotherapeutic products at Octapharma in Stockholm. She earned her PhD in medical biophysics from Karolinska Institute, Sweden, focusing on structure and function of cancer inducing proteins.
10:25AM – 11:55AM		Agent Based Modeling in Regulatory Science and Regulatory Decision Making Organizer: Tomas Drgon, PhD (FDA/ORA) Breakout Description and Session Agenda Agent Based Modeling is a dynamic modeling approach used to generate insight and to aid decision making in complex dynamic models such as supply chain dynamics, contagion and response to infectious disease outbreaks, urban planning, disaster logistics, and others. Cross-sectional, statistical, epidemiological, and time-series models often fail to accurately describe complex systems with networks of feedback loops and interdependencies. System Dynamics models, that take the feedback loops into consideration often require formalization of variable relationships into differential (difference) equations, which may introduce unwanted arbitrary decisions. Agent Based Modeling approaches these issues from the bottom, from the granular properties of individual agents/entities that make up the complex system. In this session we will introduce Agent Based Modeling with several examples in NetLogo (an open-source modeling platform), and present use cases of ABM approach in modeling of opioid epidemic, modeling of infectious agents’ dynamics in food and in agricultural animals. ABM as a modeling approach is applicable to the FDA relevant problematic as most regulatory approaches have a dynamic component. The ABM approaches are often computationally intensive and require scientific computing platforms and coding approaches. 10 Years in ABM – Intro to Agent Based Modeling - NetLogo (Tomas Drgon, PhD - (FDA/ORA)) Agent-Based Modeling and Simulations Using AnyLogic Platform (Catherine Li - (FDA/CDER)) Leveraging Risk Assessment for Foodborne Outbreak Investigations: The Quantitative Risk Assessment - Epidemic Curve Prediction Model (Hao Pang - (FDA/CFSAN)) Agent-Based Model for Johne’s Disease Dynamics in a Dairy Herd (Andrew Kanarek - (FDA/CVM)) Panel Discussion Tomas Drgon, PhD - (FDA/ORA) Catherine Li, MS (FDA/CDER) Hao Pang, PhD (FDA/CFSAN) Andrew Kanarek, PhD (FDA/CVM) Jane Van Doren (FDA/CFSAN) Sofia Santilana-Farakos - (FDA/CFSAN)
11:55AM - 12:55PM		Lunch
12:55PM – 2:25PM		Leveraging Edges Using Interdisciplinary Omics Organizers: Matt Hartog, PhD (FDA/CTP) Breakout Description and Session Agenda The continual development of increasingly powerful computational tools and models enabled the rapid evolution of Omics technologies. Omics-based research has played a key role in the advancement of public health through the progressive development of more sensitive analytical techniques and by providing critical data needed for the creation and refinement of computational models of complex biological processes. These models are necessary resources used in the evaluation of disease spread and prevalence, characterization of biomarkers and development of novel vaccines. This breakout session will provide a retrospective on the evolution of Omics technologies over the past 10 years, highlight key contributions of Omics-based research and its role in improving public health locally and globally, and provide a look over the horizon to its future as Omics technologies continue to evolve with scientific computing and computational approaches. Looking Back 10 Years: Evolving from Single- to Multi-Omics (Matt Hartog PhD - FDA/CTP) Sewage In – Sequence Out: Analysis of Mixtures for SARS-CoV-2 Variant Typing (Jasmine Amirzadegan PhD - FDA/CFSAN) Metabolomic and Proteomic Biomarkers for the Prediction of Outcomes in Dialysis-Dependent AKI Patients (Li-Rong Yu PhD - FDA/NCTR) Novel Methods to Determine Anti-Malarial Drug and Vaccine Targets (Heather Painter PhD - FDA/CBER) Data Integration and Management in Omics: What is in the Art of Possibilities (Robert Whetsel - FDA/CDER) Q&A (Khaled Bouri, PhD, MPH, FDA/OCS)
2:25PM – 2:40PM		Break
2:40PM – 4:10PM		A Collaborative and Multi-Disciplinary Approach to Advance Computing Methods Organizers: Steve Condrey, MPS (FDA/ORA), Christine Lee, PharmD, PhD (FDA/OC) Breakout Description and Session Agenda This session highlights efforts that leverage a collaborative, multisectoral and multidisciplinary approach to amplify efforts to advance computing methods. By combining expertise and resources, this session highlights examples of collaborations across scientific disciplines to increase the ability to answer bigger and more complex scientific question and expand the breadth of research and impact. Looking Back 10 Years: Advanced Computing (Steve Condrey, MPS, FDA/ORA) Computer Assisted Content Analysis for Public Comments (Christine Lee, FDA/OC, Philip Resnik, PhD, UMD CERSI) Evaluating Machine Learning Models for Describing Chemicals within Animals (John Wambaugh, PhD – EPA) Computational Crowdsourcing and Augmented Intelligence in Toxicology (Nicole Kleinstreuer, PhD, NIH) Q&A (Steve Condrey, MPS, FDA/ORA)
4:10PM – 4:30PM		Closing Plenary & Award Ceremony Tyler Peryea, SCD Co-chair (FDA/ODT) Steve Condrey, MPS, SCD Co-chair (FDA/ORA)
4:30PM – 6:00PM		Celebrating 10 Years with the FDA Scientific Computing Board HYBRID EVENT Open Tyler Peryea, SCD Co-chair (FDA/ODT) Steve Condrey, MPS, SCD Co-chair (FDA/ORA) Guest Speaker ShaAvhrée Buckman-Garner, MD, PhD, FAAP (FDA/CDER) Former SCB Co-chair Guest Speaker Errol Strain, PhD (FDA/CVM) Former SCB Co-chair, SCB Advisor Guest Speaker Mark Walderhaug, PhD (FDA/CBER) Former SCB Co-chair, SCB Advisor Close Catherine Li, SCB Program Manager (FDA/CDER) Jamie Pettengill, PhD, SCB Co-chair (FDA/CFSAN) Raju Rayavarapu, PhD, SCB Co-chair (FDA/CTP) Pre-registration required for ONSITE attendance. MAX Capacity: 50

U.S. Food and Drug Administration

Event Title

2022 Scientific Computing Days

September 7 - 8, 2022

Event Materials