Synopsis SOLE SOURCE ADMET.docx

HHS OMAS

ADMET Software for Cosmetic Chemical Safety Assessment Support Package

Special Notice

7571TE26P00066

Special Notice / Notice of Intent to Sole Source

General Information

Contracting Office Address OMAS – Information Technology 5600 Fishers Lane Rockville, MD 20852

Description

THIS IS A NOTICE OF INTENT AND NOT A REQUEST FOR QUOTATIONS.

The Food and Drug Administration, Office of Cosmetics and Colors (OCAC), under the Department of Health and Human Services, OMAS - Information Technology, intends to negotiate on a sole-source basis with Simulations Plus Inc, 8000 Park Offices Dr. Ste 401, Research Triangle Park, NC 27709-1014 (UEI: MZN6WDBMXN24), for ADMET Predictor Software for Cosmetic Chemical Risk Assessment.

This acquisition is being conducted as a commercial acquisition in accordance with FAR Part 12, Commercial Products and Commercial Services, and applicable acquisition procedures. Simulations Plus Inc., Inc. is the developer and proprietary provider of the ADMET Predictor Software currently utilized by the FDA OCAC. The Government has determined that Simulations Plus is the only source capable of providing the required ADMET Predictor Software, including software maintenance, software updates, installation assistance, and technical support necessary to ensure continued operation of the existing ADMET implementation. No other source can meet the agency's requirements without substantial duplication of cost, unacceptable disruption to operations, compatibility concerns, and risk to continuity of support for FDA OCAC data.

Evaluating the toxicity of cosmetic ingredients is challenging due to the complexity of their chemical structures. Most of the chemicals found in modern cosmetic products that come to the Office of Cosmetics and Colors (OCAC) for safety review have very little or no toxicity data. It is, therefore, important for OCAC to have access to computational tools and databases that allow data-rich chemicals with similar chemical structures (or analogs) to the cosmetic ingredients to be identified and evaluated. The information from these analogs can then be used to infer the potential toxicity of the cosmetic ingredients. ADMET Predictor is an advanced computational platform that uses artificial intelligence (AI) and machine learning (ML) to rapidly estimate absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of chemicals from their molecular structure. The software includes modules for physicochemical and biopharmaceutical properties, metabolism and transporter interactions, toxicity assessment, and high-throughput pharmacokinetic (HTPK) simulation. Additionally, the ADMET Modeler™ module enables the development of quantitative and qualitative structure–activity relationship ((Q)SAR) models using artificial neural network ensemble (ANNE) algorithms. These capabilities enable FDA to screen cosmetic ingredients and contaminants, develop in-house (Q)SAR models for cosmetic-relevant endpoints, and support safety assessments. This approach will help fill data gaps in the risk assessment of data-poor cosmetic substances through a weight-of-evidence (WoE) framework. The OCAC is requesting a one-year license for ADMET Predictor software for designated users. This license includes HTPK Simulation Module, ADMET Modeler™ Module, Metabolism & Transporter Module, Physicochemical & Biopharmaceutical Module, Toxicity Module, Chemistry Module, MedChem Studio™ Module, and REST API Module. ADMET Predictor is proprietary and no other software provides an equivalent combination of predictive models, simulation tools, and workflow capabilities for comprehensive.

This acquisition of ADMET Predictor Software for Cosmetic Chemical Risk Assessment will consist of one (1) 12-month base period and four (4) 12-month option periods.

Period of Performance

Base: July 31, 2026 – July 30, 2027 OY 1: July 31, 2027 – July 30, 2028 OY 2: July 31, 2028 – July 30, 2029 OY 3: July 31, 2029 – July 30, 2030 OY 4: July 31, 2030 – July 30, 2031

This notice of intent is not a solicitation or request for quotes. Notwithstanding, any responsible source that believes it is capable of meeting the Government's requirements may submit a capability statement. Responses to this posting must be submitted via email to, raja.seshadri@hhs.gov by July 23, 2026, at 5:00 PM EST.

A determination by the Government not to compete this contract action based upon responses to this notice is solely within the discretion of the Government. There is no solicitation package available. For any questions regarding this announcement, please contact Raja Seshadri at the above email address.