Background

The NORMAN Association (https://www.norman-network.com/) initiated the NORMAN Suspect List Exchange (NORMAN-SLE; https://www.norman-network.com/nds/SLE/) in 2015, following the NORMAN collaborative trial on non-target screening of environmental water samples by mass spectrometry. Since then, this exchange of information on chemicals that are expected to occur in the environment, along with the accompanying expert knowledge and references, has become a valuable knowledge base for “suspect screening” lists. The NORMAN-SLE now serves as a FAIR (Findable, Accessible, Interoperable, Reusable) chemical information resource worldwide.

Results

The NORMAN-SLE contains 99 separate suspect list collections (as of May 2022) from over 70 contributors around the world, totalling over 100,000 unique substances. The substance classes include per- and polyfluoroalkyl substances (PFAS), pharmaceuticals, pesticides, natural toxins, high production volume substances covered under the European REACH regulation (EC: 1272/2008), priority contaminants of emerging concern (CECs) and regulatory lists from NORMAN partners. Several lists focus on transformation products (TPs) and complex features detected in the environment with various levels of provenance and structural information. Each list is available for separate download. The merged, curated collection is also available as the NORMAN Substance Database (NORMAN SusDat). Both the NORMAN-SLE and NORMAN SusDat are integrated within the NORMAN Database System (NDS). The individual NORMAN-SLE lists receive digital object identifiers (DOIs) and traceable versioning via a Zenodo community (https://zenodo.org/communities/norman-sle), with a total of > 40,000 unique views, > 50,000 unique downloads and 40 citations (May 2022). NORMAN-SLE content is progressively integrated into large open chemical databases such as PubChem (https://pubchem.ncbi.nlm.nih.gov/) and the US EPA’s CompTox Chemicals Dashboard (https://comptox.epa.gov/dashboard/), enabling further access to these lists, along with the additional functionality and calculated properties these resources offer. PubChem has also integrated significant annotation content from the NORMAN-SLE, including a classification browser (https://pubchem.ncbi.nlm.nih.gov/classification/#hid=101).

Conclusions

The NORMAN-SLE offers a specialized service for hosting suspect screening lists of relevance for the environmental community in an open, FAIR manner that allows integration with other major chemical resources. These efforts foster the exchange of information between scientists and regulators, supporting the paradigm shift to the “one substance, one assessment” approach. New submissions are welcome via the contacts provided on the NORMAN-SLE website (https://www.norman-network.com/nds/SLE/).

中文翻译：

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诺曼嫌疑人名单交换 (NORMAN-SLE)：促进欧洲和全球在高分辨率质谱嫌疑人筛查方面的合作

 背景

NORMAN 协会 (https://www.norman-network.com/) 于 2015 年发起了 NORMAN 嫌疑人名单交换 (NORMAN-SLE；https://www.norman-network.com/nds/SLE/)，继诺曼通过质谱法对环境水样进行非目标筛选的合作试验。从那时起，这种有关环境中预期出现的化学品的信息交换，以及随附的专家知识和参考资料，已成为“嫌疑人筛查”清单的宝贵知识库。 NORMAN-SLE 现在作为全球范围内的 FAIR（可查找、可访问、可互操作、可重复使用）化学信息资源。

 结果

NORMAN-SLE 包含来自世界各地 70 多个贡献者的 99 个单独的可疑清单集合（截至 2022 年 5 月），总计超过 100,000 种独特物质。物质类别包括全氟烷基物质和多氟烷基物质 (PFAS)、药品、农药、天然毒素、欧洲 REACH 法规 (EC: 1272/2008) 涵盖的高产量物质、新兴关注的优先污染物 (CEC) 以及来自诺曼合作伙伴。一些列表重点关注在环境中检测到的具有不同来源和结构信息的转换产品 (TP) 和复杂特征。每个列表都可以单独下载。合并后的精选集合还可以作为 NORMAN 物质数据库 (NORMAN SusDat) 提供。 NORMAN-SLE 和 NORMAN SusDat 均集成在 NORMAN 数据库系统 (NDS) 中。各个 NORMAN-SLE 列表通过 Zenodo 社区 (https://zenodo.org/communities/norman-sle) 接收数字对象标识符 (DOI) 和可追踪版本控制，总共 > 40,000 个唯一视图，> 50,000 个唯一视图下载次数和 40 次引用（2022 年 5 月）。 NORMAN-SLE 内容逐渐集成到大型开放化学数据库中，例如 PubChem (https://pubchem.ncbi.nlm.nih.gov/) 和美国 EPA 的 CompTox 化学品仪表板 (https://comptox.epa.gov/dashboard) /)，允许进一步访问这些列表，以及这些资源提供的附加功能和计算属性。 PubChem 还集成了 NORMAN-SLE 的重要注释内容，包括分类浏览器 (https://pubchem.ncbi.nlm.nih.gov/classification/#hid=101)。

 结论

NORMAN-SLE 提供专门服务，以开放、公平的方式托管与环境界相关的嫌疑人筛查清单，并允许与其他主要化学资源整合。这些努力促进了科学家和监管机构之间的信息交流，支持向“一种物质、一种评估”方法的范式转变。欢迎通过 NORMAN-SLE 网站 (https://www.norman-network.com/nds/SLE/) 上提供的联系方式提交新材料。