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Raspberry pi: Assessments of emerging organic chemicals by the predictive <i>in silico</i> methods

2021 1 citation ? Citation count from OpenAlex, updated daily. May differ slightly from the publisher's own count. Score: 35 ? 0–100 AI score estimating relevance to the microplastics field. Papers below 30 are filtered from public browse.

CHARLI DEEPAK ARULANANDAM, Ragothaman Prathiviraj, Ragothaman Prathiviraj, Govindarajan Rasiravathanahalli Kaveriyappan, Govindarajan Rasiravathanahalli Kaveriyappan

Summary

Researchers used computer modeling to assess the toxicity of phthalate and bisphenol plasticizer chemicals, which leach from plastics into food and the environment. These computational tools can help predict which plastic additives pose the greatest risks to human health without extensive animal testing.

Body Systems

Integumentary

Abstract Phthalic acid esters (PAEs) and bisphenols are used as plasticizers worldwide. During plastic production, use, deposition, and recycling these compounds contaminate the environment and affect environmental health. In this study, we investigated the toxicity of plasticizers by using in silico tools. None of the test compounds were found to be hERG blockers in multiclass predictions as evaluated by the Pred-hERG 4.1 tool. Among all tested compounds in Pred-Skin 2.0, only BBP, BCP, DBP, diethyl phthalate (DEP), DMP, DNHP, DNPP, DPP, DTDP, DUP, and ODP were non-skin sensitizers. Our results demonstrate that in silico tools provide a reliable, fast, and economic way to explore the toxicological effects of EOCs.

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