Zeeman M, Auer C M, Clements R G, Nabholz J V, Boethling R S
U.S. Environmental Protection Agency, Health and Environmental Review Division, Washington, D.C. 20460-0001, USA.
SAR QSAR Environ Res. 1995;3(3):179-201. doi: 10.1080/10629369508234003.
As testing is not required, ecotoxicity or fate data are available for approximately 5% of the approximately 2,300 new chemicals/year (26,000 + total) submitted to the US-EPA. The EPA's Office of Pollution Prevention and Toxics (OPPT) regulatory program was forced to develop and rely upon QSARs to estimate the ecotoxicity and fate of most of the new chemicals evaluated for hazard and risk assessment. QSAR methods routinely result in ecotoxicity estimations of acute and chronic toxicity to fish, aquatic invertebrates, and algae, and in fate estimations of physical/chemical properties, degradation, and bioconcentration. The EPA's Toxic Substances Control Act (TSCA) Inventory of existing chemicals currently lists over 72,000 chemicals. Most existing chemicals also appear to have little or no ecotoxicity or fate data available and the OPPT new chemical QSAR methods now provide predictions and cross-checks of test data for the regulation of existing chemicals. Examples include the Toxics Release Inventory (TRI), the Design for the Environment (DfE), and the OECD/SIDS/HPV Programs. QSAR screening of the TSCA Inventory has prioritized thousands of existing chemicals for possible regulatory testing of: 1) persistent bioaccumulative chemicals, and 2) the high ecotoxicity of specific discrete organic chemicals.
由于无需进行测试，对于每年提交给美国环境保护局（US-EPA）的约2300种新化学品（总计26000多种）中的约5%，可获取生态毒性或归宿数据。美国环境保护局预防污染和有毒物质办公室（OPPT）的监管计划被迫开发并依赖定量构效关系（QSARs）来估计大多数经危害和风险评估的新化学品的生态毒性和归宿。QSAR方法通常能得出对鱼类、水生无脊椎动物和藻类的急性和慢性毒性的生态毒性估计值，以及物理/化学性质、降解和生物富集的归宿估计值。美国环境保护局的《有毒物质控制法》（TSCA）现有化学品清单目前列出了超过72000种化学品。大多数现有化学品似乎也几乎没有或根本没有生态毒性或归宿数据，OPPT新化学品QSAR方法现在为现有化学品的监管提供测试数据的预测和交叉核对。实例包括有毒物质排放清单（TRI）、环境设计（DfE）以及经合组织/化学物质信息数据单/高产量化学品计划。对TSCA清单进行QSAR筛选已将数千种现有化学品列为可能进行监管测试的优先对象：1）持久性生物累积化学品，以及2）特定离散有机化学品的高生态毒性。
