PastHybrid

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.

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.

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