ANALYSIS OF METHODS FOR AUTOMATED ASSESSMENT OF CHEMICAL TOXICITY

DOI 10.31673/2412-4338.2025.014946

Abstract

The article is devoted to methods and software solutions for assessing the chemical substances toxicity in environment analysis. Environmental pollution with toxic substances problem is becoming increasingly relevant, particularly due to military actions and industrial accidents potential consequences. A crucial step in mitigating emergencies effects is the substances toxicity assessment that have spread to the environment and their impact prediction on ecosystems and human health. In this context, automated solutions serve as key tools that significantly accelerate analysis and improve risk assessment accuracy. A study examines modern solutions for assessing chemical toxicity advantages and disadvantages. These are ChemSteer, ECOSAR, EPI Suite, GaBi, SimaPro, USETox, and ToxTool, which are used to predict pollution consequences. The primary focus lies in their application environmental impact of toxic substancesevaluating. Effective software requirements include substances toxicity levels assessing ability based on chemical analysis, multiple substances comprehensive toxicity assessment providing, and analysis processes automation. System’s analysis showed that each of the reviewed solutions has its unique features and limitations. For example, ChemSteer is well-suited for emissions forecasting but does not consider toxicity of specific substances. ECOSAR and EPI Suite are effective in predicting the toxicity of organic compounds but have limited application scope. GaBi and SimaPro specialize in life cycle assessment but do not provide detailed chemical toxicity analysis. USETox and ToxTool contain toxicity databases but have limited complex substance mixtures automated analysis capabilities. Conclusions highlight an integrated solution development necessity that ensures toxic impacts comprehensive assessment, considering specific conditions and requirements for pollution impact forecasting. Future research may focus on creating more efficient tools for environmental monitoring and minimizing the negative pollution effects.

Keywords: information technologies, forecasting methods, automated systems, pollution modeling, toxicity databases, assessment algorithms