Risk Management in Safety Using QSAR (Quantitative Structure-Activity Relationship) Method for Determining The Toxicity of Chemical Substances and Mixtures Cover Image

Управление на риска за безопасност чрез използване на qsar (quantitative structure-activity relationship) метод за определяне на токсичността на химически вещества и смеси
Risk Management in Safety Using QSAR (Quantitative Structure-Activity Relationship) Method for Determining The Toxicity of Chemical Substances and Mixtures

Author(s): Alexander Krilchev
Subject(s): Economy, Geography, Regional studies, Energy and Environmental Studies, Environmental Geography
Published by: Институт за знание, наука и иновации ЕООД
Keywords: QSAR methods; biological activity; two-dimensional and three-dimensional models

Summary/Abstract: QSAR (Quantitative Structure-Activity Relationship) is a method for predicting the biological activity or toxicity of chemical substances based on their molecular structure. The method is based on the premise that the structure of a molecule determines its properties and activity. The main steps of QSAR include: data collection and analysis of chemical structures using molecular descriptors; extraction of molecular descriptors – numerical values describing the physicochemical and structural properties of molecules

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