A new database of antimicrobial-enriched chemicals for the Threshold of Toxicological Concern (TTC) approach has been compiled, comprising 1357 chemicals with 276, 54, and 1027 substances in Cramer Classes I, II, and III, respectively. To enrich the chemical space of the No-/Lowest-Observed-Adverse Effect Level (NOAEL/LOAEL) database, a reference Antimicrobial (AM) Inventory (681) was established for chemical inclusion. To this database, the three existing TTC datasets were combined via robust data fusion process. From the final AM TTC Dataset, the fifth percentiles were derived to be 2.7, 0.43, and 0.12 mg/kg-bw/day for Cramer Classes I, II, and III, respectively. Considering the high percentage of AMs being Cramer Class III, the thresholds are remarkably stable across various TTC datasets. Based on the AM-enriched database, a set of AM categories stratified across potency were developed to classify AMs beyond the capability of the conventional Cramer Tree approach. Grouping the query chemical within the AM category, further distribution analyses were conducted to identify subclasses and differentiate potency. This study proposes a new framework for potential assessment of chronic toxicity made possible with the power of modern reliable databases and chemoinformatic methods.

已建立了一个新的针对毒理学阈值（TTC）方法的富含抗菌剂的化学品数据库，该数据库包含1357种化学物质，分别含I，II和III类Cramer的276、54和1027种物质。为了丰富“无/最低可观察到的不良反应水平”（NOAEL / LOAEL）数据库的化学空间，建立了用于化学掺入的参考抗菌素（AM）清单（681）。通过强大的数据融合过程，将三个现有的TTC数据集合并到该数据库中。根据最终的AM TTC数据集，对于Cramer I，II和III类，第五个百分位数分别为2.7、0.43和0.12 mg / kg-bw /天。考虑到AM的高百分比属于Cramer Class III，阈值在各种TTC数据集中都非常稳定。基于AM丰富的数据库，开发了一套按效能分层的AM类别，以对AM进行分类，超越了传统Cramer Tree方法的能力。将查询化学品归为AM类别，然后进行进一步的分布分析，以识别子类并区分效能。这项研究提出了一个潜在的慢性毒性评估新框架，该框架借助现代可靠的数据库和化学信息学方法可以实现。