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Related Concept Videos

Types of Toxins01:36

Types of Toxins

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Humans continually engage with an environment rich in potentially harmful chemicals. These are introduced to our bodies through inhalation, ingestion, or skin contact. These chemicals exist in various forms, such as air and environmental pollutants, agricultural chemicals, organic solvents, and heavy metals.
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Toxicokinetics: Overview01:21

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Studies that assess how a drug is absorbed, distributed, metabolized, and excreted (ADME) at toxic doses are termed toxicokinetics. Understanding toxicokinetics helps predict adverse drug reactions (ADRs) and manage toxicity in humans.Toxicokinetics differs from pharmacokinetics mainly in the dose levels studied, with toxicokinetics focusing on higher toxic doses. The kinetics at these levels can be non-linear due to altered physiological processes. Toxicodynamics examines the relationship...
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Toxicity Testing in Animals01:23

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Toxicity tests in animals are grounded on two main assumptions: first, the effects observed in laboratory animals can be extrapolated to humans, especially when adjusted for body surface area; second, high-dose exposure in animals is essential to identify potential human hazards from lower doses. This is based on the quantal dose-response concept, which faces the challenge of extrapolating results from relatively few test animals to much larger human populations. For example, a 0.01% incidence...
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Drug Toxicity: Overview01:00

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Drug toxicity quantifies the harm a compound causes to an organism, varying by dose and potentially impacting whole systems or specific organs like the liver. Toxic reactions may arise from venomous insect or spider bites, with effects ranging from mild symptoms to severe outcomes such as brain damage or death. Common forms of acute poisoning include ethanol intoxication and overdose of pain or fever medications, with substances like GHB and heroin being particularly lethal at doses close to...
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Toxidromes: Clinical Features01:30

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Toxidromes are specific patterns of symptoms resulting from toxic substance exposure. They help in the identification and treatment of poisoning. The symptoms of each toxidrome group indicate poisoning by a certain class of chemicals or drugs.1. Sympathomimetic: Stimulates the sympathetic nervous system. Symptoms include agitation, increased heart rate (HR), blood pressure (BP), respiratory rate (RR), temperature, and pupil size. Drugs like cocaine and amphetamines, along with tremors and...
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Pharmaceutical poisoning can occur through various channels, impacting an estimated 2 million hospitalized patients in the U.S. annually with serious adverse drug responses. These scenarios encompass both therapeutic uses, such as drug toxicity, where even standard dosages can lead to severe central nervous system depression, and non-therapeutic exposures, including accidental ingestion by children, and environmental and occupational exposures.Unintentional poisonings often involve exploratory...
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A High-throughput Assay for the Prediction of Chemical Toxicity by Automated Phenotypic Profiling of Caenorhabditis elegans
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Emerging pattern mining to aid toxicological knowledge discovery.

Richard Sherhod1, Philip N Judson, Thierry Hanser

  • 1Information School, University of Sheffield , Regent Court, 211 Portobello Street, Sheffield S1 4DP, U.K.

Journal of Chemical Information and Modeling
|May 31, 2014
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Summary
This summary is machine-generated.

This study introduces a novel pattern mining method to automatically identify structural features linked to toxicity, speeding up the development of predictive toxicology alerts. The approach effectively clusters compounds by common toxic features in large datasets.

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Area of Science:

  • Computational toxicology
  • Cheminformatics
  • Data mining

Background:

  • Toxicity prediction systems often rely on manually identified structural alerts, a process that is time-consuming and requires expert knowledge.
  • Automating the identification of structural features associated with toxicological activity is crucial for efficient alert development.

Purpose of the Study:

  • To present an emerging pattern mining method for the automated identification of structural features in toxicity datasets.
  • To expedite the development of predictive toxicology alerts and improve existing expert systems.

Main Methods:

  • Application of the contrast pattern tree mining algorithm to identify emerging patterns of structural fragment descriptors.
  • Generation of hierarchical clusters of compounds based on common structural features identified by emerging patterns.

Main Results:

  • The method successfully identified common toxic features and recognizable classes of toxicants on public in vitro mutagenicity and hERG channel inhibition datasets.
  • Emerging patterns were shown to be effective in defining distinct chemical classes based on shared structural features.

Conclusions:

  • The developed pattern mining method automates the identification of toxicophores, significantly accelerating alert development.
  • Knowledge developers can leverage emerging patterns to enhance the specificity and sensitivity of existing expert toxicity prediction systems.