Dracheva, Elena published the artcileIn Silico Identification of Potential Thyroid Hormone System Disruptors among Chemicals in Human Serum and Chemicals with a High Exposure Index, Category: alcohols-buliding-blocks, the publication is Environmental Science & Technology (2022), 56(12), 8363-8372, database is CAplus and MEDLINE.
Data on toxic effects are at large missing the prevailing understanding of the risks of industrial chems. Thyroid hormone (TH) system disruption includes interferences of the life cycle of the thyroid hormones and may occur in various organs. In the current study, high-throughput screening data available for 14 putative mol. initiating events of adverse outcome pathways, related to disruption of the TH system, were used to develop 19 in silico models for identification of potential thyroid hormone system-disrupting chems. The conformal prediction framework with the underlying Random Forest was used as a wrapper for the models allowing for setting the desired confidence level and controlling the error rate of predictions. The trained models were then applied to two different databases: (i) an inhouse database comprising xenobiotics identified in human blood and (ii) currently used chems. registered in the Swedish Product Register, which have been predicted to have a high exposure index to consumers. The application of these models showed that among currently used chems., fewer were overall predicted as active compared to chems. identified in human blood. Chems. of specific concern for TH disruption were identified from both databases based on their predicted activity.
Environmental Science & Technology published new progress about 80-09-1. 80-09-1 belongs to alcohols-buliding-blocks, auxiliary class Ploymers, name is 4,4′-Sulfonyldiphenol, and the molecular formula is C12H10O4S, Category: alcohols-buliding-blocks.
Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts