Annual Subscription for Chemical Abstracts Service BioFinder Software License

Pre-Solicitation Notice – Notice of Intent to award on a Single Source Basis Title: Notice of Intent to Award a Single Source Purchase Order for an annual subscription of a Chemical Abstracts Service (CAS) BioFinder Discovery Platform Software License, a computational platform that can predict thousands of biological targets for chemicals, is accessed via the Internet, and interfaces with CAS SciFinder, a database of over 100 million chemicals and already in use by the FDA. Notice Number: NOI_REQT-OMAS-IT-202600119 Agency: Department of Health and Human Services (HHS), Food and Drug Administration (FDA) Division of Toxicology

Contracting Office: HHS – (PSC): OC code 6632 / PCS Code 10 (Analysis Instruments, Medical Laboratory Use) NAICS Code: 513210 (Software Publishers)

Place of Performance: HHS/FDA, 8301 Muirkirk Road, Laurel, MD 20708 Set Aside: Not Applicable (Single Source) This is a Notice of Intent to negotiate on a sole source basis for a firm-fixed-price purchase order to American Chemical Society, 2540 Olentangy River Road, Columbus, OH 43202 HHS/FDA has a requirement for purchase of an annual software license. The Chemical Abstracts Service (CAS) BioFinder Discovery Platform is the only platform that meets all of the FDA Division of Toxicology's technical

requirements for advancing food chemical safety research and implementing New Approach Methodologies (NAMs).

Period of Performance: 09/01/2026 – 08/31/2027 Requirement Details: Prediction of biological targets for chemicals based on a training set of over 1 million compounds Known and predicted quantitative binding and functional activity for at least 3,600 targets Target binding prediction by at least 6 independent methods (SAS, SAR, SIM, SEA, MLM, and XPI) Confidence scores for predicted interactions using consensus approach Metabolite prediction using manually curated training dataset Direct comparison of biological target predictions of metabolites with substrates Interactive tabular and graphical dashboards for data visualization Integration with CAS SciFinder database containing over 100 million substances – already being utilized by FDA Web browser access with user account credentials Downloadable search results in structured data format AI chatbot interface (CAS Newton) for data queries Matched molecular pair analysis capabilities Justification for Sole Source: The highly specialized nature of this requirement, including the unique combination of comprehensive curated data, multiple independent prediction algorithms, extensive biological target coverage, metabolite prediction, CAS SciFinder integration, and full literature traceability, significantly limits the supplier pool to CAS as the sole source capable of meeting FDA's needs. Proprietary Technology: The Chemical Abstracts Service (CAS) BioFinder Discovery Platform is the only platform that meets all of the FDA Division of Toxicology's technical

requirements for advancing food chemical safety research and implementing New Approach Methodologies (NAMs). It is manufactured by parent company American Chemical Society, is proprietary to this company and available through them only on the open market. Interface Between Existing FDA Database: An annual license/subscription to CAS BioFinder Discovery platform will provide a computational platform that can predict thousands of biological targets for chemicals. It is accessed via the Internet, and most notable in this situation, it interfaces with CAS SciFinder, a database of over 100 million chemicals, which is already utilized by the FDA and will complement the data and research in a way no other similar version of software could. Avoidance of Unacceptable Risk and Cost: Because the Chemical Abstracts Service (CAS) BioFinder Discovery Platform is the only platform that meets all of the FDA Division of Toxicology's technical