US-EPA New Chemical Categories

Description The rules coded in the US-EPA New Chemical Program profiler reproduces the original categories cited in the document "TSCA New Chemicals Program (NCP)/ Chemical Categories" - an official document of U.S EPA Office of Pollution Prevention and Toxics. However, not all of the categories have been coded because they are very broad and limits are mostly based on physical considerations and do not include structure based rules. These categories are listed bellow: - Category: Acid Dyes and Amphoteric Dyes - Category: Cationic Dyes - Category: Polyanionic Polymers (& Monomers) - Category: Polycationic Polymers - Category: Respirable, Poorly soluble Particulates
Website https://www.epa.gov/system/files/documents/2024-02/ncp_chemical_categories.pdf
Donator United States Environmental Protection Agency (EPA), USA
Disclaimer The U.S. EPA/OPPT New Chemical Categories include classes of chemicals for which sufficient regulatory history has been accumulated so that hazard and risk concerns and testing recommendations vary little from chemical to chemical within the new chemicals program. It is important to note that the U.S. EPA/OPPT New Chemical Categories do not cover the universe of potential industrial molecules. Also, the categories do not necessarily represent substances of greatest concern to the Agency. The categories are also NOT intended to be a comprehensive list of all substances that may be subject to further action by the U.S. EPA/OPPT New Chemicals Program.

The structural boundaries used to define the chemical classes (e.g. “Alcohol” – chemical class from “Organic functional group” profiler) or alerting groups responsible for the binding with biological macromolecules (e.g. “Aldehydes” – structural alert for protein binding), represent structural functionalities in the molecule which could be used for building chemical categories for subsequent data gap filling. They are not recommended to be used directly for prediction purposes (as SARs).
Version2.2
Scheme typeLinear
Scheme naturePredefined
Number of categories66
Number of help files66
Adopted in versionQSAR Toolbox 2.0 beta, April 2010
Last modified4/4/2024