Non-targeted screening with LC/HRMS is a go-to approach to discover relevant contaminants in environmental water samples that contain an abundance of chemicals. The rapidly increasing popularity of non-targeted LC/HRMS screening has initiated development of a diverse set of methods for assessing the concentration and toxicity of the detected chemicals. This review aims to benchmark the trends in the environmental NTS literature with particular focus on (1) methods used for the quantification of tentatively identified chemicals that lack analytical standards, (2) methods for assessing the toxicity of detected chemicals, and (3) methods combining the former into a risk evaluation. Here we provide a scientometric review of these strategies based on the Web of Science referenced papers published between 2019 and 2022. General trends show that quantification and toxicity assessments are widely employed in NTS, reaching 66 % and 45 % over four years, respectively. Simultaneously, only 13 % of the papers covered here combine these results into a risk factor or similar. With this review we aim to highlight the advantages and gaps in the approaches used for concentration and toxicity assessment and provide guidelines for more homogeneous data interrogation and extrapolation.

使用 LC/HRMS 进行非靶向筛查是发现含有大量化学物质的环境水样中相关污染物的首选方法。非靶向 LC/HRMS 筛查的迅速普及引发了多种方法的开发，用于评估检测到的化学物质的浓度和毒性。本综述旨在对环境 NTS 文献中的趋势进行基准测试，特别关注 (1) 用于量化缺乏分析标准的暂时确定的化学品的方法，(2) 评估检测到的化学品毒性的方法，以及 (3) 方法将前者合并到风险评估中。在这里，我们根据 2019 年至 2022 年间发表的 Web of Science 参考论文对这些策略进行了科学计量学回顾。总体趋势表明，量化和毒性评估在 NTS 中得到广泛应用，四年来分别达到 66% 和 45%。同时，本文涵盖的论文中只有 13% 将这些结果合并为风险因素或类似因素。通过这次综述，我们的目的是强调用于浓度和毒性评估的方法的优点和差距，并为更均匀的数据询问和外推提供指南。