Cheminformatics Resources of U.S. Governmental Organizations 2026 Workshop
by FDA Modeling and Simulation Working Group, Chemical Informatics and Modeling Interest Group
The Cheminformatics Resources of U.S. Governmental Organizations 2026 Workshop is a collaborative event organized by the FDA's Chemical Informatics and Modeling Interest Group, in partnership with several U.S. government agencies. This workshop aims to enhance communication and collaboration among organizations that develop and maintain databases, data standards, datasets, scientific approaches, and computational resources related to chemical structures and properties of molecules and materials.
Key topics include the application of cheminformatics to support analytical chemistry, focusing on integrating cheminformatics into analytical workflows and developing machine learning models for chemical analysis. Another session addresses the cloudization of cheminformatics and data sharing, discussing the adoption of data standards, improving data sharing through chemical-based datasets, and enhancing data access via government cloud resources. Additionally, the workshop explores applications of AI and machine learning in cheminformatics research, covering predictive modeling, the role of large language models in chemical information extraction, and regulatory perspectives in government-industry collaboration.
The workshop is scheduled for January 5-7, 2026, from 9:00 a.m. to 4:30 p.m. ET each day, at the FDA White Oak Campus in Silver Spring, Maryland, with virtual attendance options available. Registration is required and limited to government employees and contractors. Attendees will have opportunities to engage with experts from various governmental organizations, participate in panel discussions, and gain practical insights into incorporating cheminformatics tools into their research and analysis workflows.
This workshop is ideal for professionals involved in cheminformatics, analytical chemistry, data management, and regulatory science within U.S. government agencies. Participants will benefit from in-depth discussions on current challenges and advancements in the field, fostering interdisciplinary collaboration and enhancing the utility of cheminformatics resources in governmental research and regulatory processes.
Speakers(14)
Dr. Alexey Zakharov
Presenter at NIH
Dr. Alexey Zakharov is presenting on AI-driven drug discovery, bridging medicinal chemistry and machine learning.
Dr. Debsindhu Bhowmik
Presenter at ORNL
Dr. Debsindhu Bhowmik is presenting on GEMMINI, a generative AI platform for custom molecular design, validation, and discovery.
Dr. Evan Bolton
Session Moderator at NIH/NCBI
Dr. Evan Bolton is a session moderator for the 'Applications of AI/ML in Cheminformatics Research' session at the workshop.
Dr. Ewy Mathé
Session Chair at NIH/NCATS
Dr. Ewy Mathé is a session chair for the 'Cloudization of Cheminformatics and Data Sharing' session at the workshop.
Dr. Huixiao Hong
Session Chair at FDA/OC/NCTR/DBB
Dr. Huixiao Hong is a session chair for the 'Applications of AI/ML in Cheminformatics Research' session at the workshop.
Dr. Kamel Mansouri
Presenter at NIH
Dr. Kamel Mansouri is presenting on democratizing computational toxicology tools with automated workflows.
Dr. Karen E. Butler
Session Chair at FDA/HFP
Dr. Karen E. Butler is a session chair for the 'Application of Cheminformatics to Support Analytical Chemistry' session at the workshop.
Dr. Michael Santillo
Presenter at FDA
Dr. Michael Santillo is presenting on combining in silico and in vitro toxicological data for profiling chemicals in foods and dietary supplements.
Dr. Raul E. Cachau
Presenter at NIH
Dr. Raul E. Cachau is presenting on AI as a molecular translator, bridging chemical space, biological function, and drug discovery.
Dr. Ruili Huang
Presenter at NIH
Dr. Ruili Huang is presenting on the application of Tox21 data in machine learning models for chemical safety assessment.
Dr. Samir Lababidi
Session Chair at FDA/OC/ODT/ODAR
Dr. Samir Lababidi is a session chair for the 'Applications of AI/ML in Cheminformatics Research' session at the workshop.
Dr. Tytus Mak
Session Chair at NIST/MSDC
Dr. Tytus Mak is a session chair for the 'Application of Cheminformatics to Support Analytical Chemistry' session at the workshop.
Dr. Yitong Liu
Presenter at FDA
Dr. Yitong Liu is presenting on the integration of computational models to predict botanical phytochemical constituent clearance routes.
Dr. Yulia Borodina
Session Moderator at FDA/ODT
Dr. Yulia Borodina is a session moderator for the 'Applications of AI/ML in Cheminformatics Research' session at the workshop.
Event Details
- Date
- January 5-7, 2026
- 3 days
- Location
- 🇺🇸 Silver Spring, United States
- FDA White Oak Campus: The Great Room
- Pricing
- Free
- Audience
- Government employees and contractors involved in cheminformatics, analytical chemistry, data management, and regulatory science.