The use of structural alerts to avoid the toxicity of pharmaceuticals
Toxicology Reports, 2018 In order to identify compounds with potential toxicity problems, particular attention is paid to structural alerts, which are high chemical reactivity molecular fragments or fragments that can be transformed via bioactivation by human enzymes into ...
Carmen Limban +8 more
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Optimizing skin sensitization prediction across activity cliffs: a comparative analysis of K-nearest neighbours vs random Forest [PDF]
Frontiers in ToxicologyComputational models for skin sensitization prediction face critical challenges in handling activity cliffs, where structurally similar compounds exhibit different biological activities, limiting their regulatory applicability.
Daniel C. Ukaegbu +3 more
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Taxon‐Specific Loss in Scleractinian Living Coral Area Following a Bleaching Event Is Linked to Reef Structural Decline in the Central Red Sea [PDF]
Ecology and EvolutionMarine heatwaves are increasing in frequency and intensity worldwide, triggering coral bleaching events. While colony and community scale consequences of bleaching have been well documented, its consequence on reef structural complexity remains ...
Natalie Dunn +4 more
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Reasons why smartphone-alerted first responders abort missions [PDF]
Resuscitation PlusBackground: Smartphone-based first responder systems are implemented in 209 regions across Germany to reduce time to treatment in out-of-hospital cardiac arrests (OHCA).
Stephanie Stein +4 more
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SApredictor: An Expert System for Screening Chemicals Against Structural Alerts
Frontiers in Chemistry, 2022 The rapid and accurate evaluation of chemical toxicity is of great significance for estimation of chemical safety. In the past decades, a great number of excellent computational models have been developed for chemical toxicity prediction. But most machine learning models tend to be “black box”, which bring about poor interpretability.
Yuqing Hua, Xueyan Cui
exaly +4 more sources
Structural Alerts for Aneuploidy Prediction: Are We There Yet? [PDF]
ToxicsAssessing genotoxicity, specifically gene mutations and chromosomal aberrations, is fundamental to chemical risk assessment. Notably, the early identification of an aneugenic mechanism is of crucial importance, allowing, in principle, for a threshold-based risk assessment approach.
Ricci EM +4 more
europepmc +2 more sources
Modeling and insights into the structural characteristics of drug-induced autoimmune diseases
Frontiers in Immunology, 2022 The incidence and complexity of drug-induced autoimmune diseases (DIAD) have been on the rise in recent years, which may lead to serious or fatal consequences. Besides, many environmental and industrial chemicals can also cause DIAD.
Huizhu Guo +8 more
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Drug-Induced Immune Thrombocytopenia Toxicity Prediction Based on Machine Learning
Pharmaceutics, 2022 Drug-induced immune thrombocytopenia (DITP) often occurs in patients receiving many drug treatments simultaneously. However, clinicians usually fail to accurately distinguish which drugs can be plausible culprits.
Binyou Wang +7 more
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In Silico Prediction and Insights Into the Structural Basis of Drug Induced Nephrotoxicity
Frontiers in Pharmacology, 2022 Drug induced nephrotoxicity is a major clinical challenge, and it is always associated with higher costs for the pharmaceutical industry and due to detection during the late stages of drug development.
Yinping Shi +7 more
doaj +1 more source
Restriction of the Freedom of Movement under a High-Alert Regime [PDF]
Пенитенциарная наука, 2021 Introduction: the article considers the high-alert regime and the associated restrictive measures related to the freedom of movement and introduced in connection with the threat of the spread of COVID-19.
NATAL’YA P. ZARYAEVA, INNA L. OLIYNYK
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