Chemical properties and ecotoxicity database

\n## **Abstract** \nThe dataset was compiled by the Geological and Bioregional Assessment Program from multiple sources referenced within the dataset and/or metadata. The processes undertaken to compile this dataset are described in the History field in this metadata statement.\n\n\n## **Attribution** \nGeological and Bioregional Assessment Program\n\n\n## **History** \nPhysico-chemical data were compiled from US EPA Estimation Programme Interface (EPI Suite). Estimated properties were based on the Simplified Molecular Input Line-Entry System (SMILES), Biowin models 1-7, PHYSPROP. Ecotoxicology data were compiled from chemical safety data sheets, eChemPortal, USEPA ECOTOX, OECD SIDS, ECHA assessments, USEPA (2015/6) reaxys database, NICNAS/IMAP assessments, ECOSAR 2.0.## **摘要** 本数据集由地质与生物区域评估计划（Geological and Bioregional Assessment Program）基于数据集内部及元数据中引用的多源数据汇编而成。本数据集的汇编流程详见本元数据说明中的「历史」章节。 ## **数据归属** 地质与生物区域评估计划（Geological and Bioregional Assessment Program） ## **汇编历程** 本数据集的理化数据汇编自美国环境保护署评估程序接口（US EPA Estimation Programme Interface，简称EPI Suite）。所估算的理化性质基于简化分子线性输入规范（Simplified Molecular Input Line-Entry System，简称SMILES）、Biowin模型1-7以及PHYSPROP工具。生态毒理学数据则汇编自化学品安全数据表、eChemPortal数据库、美国环境保护署ECOTOX数据库、经济合作与发展组织（OECD）SIDS数据库、欧洲化学品管理局（ECHA）评估报告、美国环境保护署（2015/6）版Reaxys数据库、澳大利亚国家工业化学品申报与评估计划/工业化学品评估计划（NICNAS/IMAP）评估报告以及ECOSAR 2.0工具。