Results 121 to 130 of about 36,144 (247)
, 2015 QSAR was devised for the neuropathy potency of various organophosphate (OP) compounds. The neuropathy-target-esterase (NTE) inhibition data were either obtained from the literature for a number of OP compounds or were determined experimentally for ...
core +1 more source
Beilstein Journal of NanotechnologyMetal oxide nanoparticles (MONPs) are widely used in medicine and environmental remediation because of their unique properties. However, their size, surface area, and reactivity can cause toxicity, potentially leading to oxidative stress, inflammation ...
Supratik Kar, Siyun Yang
doaj +1 more source
From Executor to Orchestrator: The Pharmacology Scientist in the Age of Agentic AI
Clinical Pharmacology &Therapeutics, Volume 120, Issue 3, Page 648-662, September 2026.Drug development productivity has not improved despite five decades of computational advancement, with the probability that a compound entering Phase I achieving regulatory approval remaining near 10%. Each automation wave increased throughput while leaving the interpretive bottleneck intact; scientists continued to formulate questions, evaluate ...
Michael McCoy, Matthew McCoy
wiley +1 more source
AI-assisted models to predict chemotherapy drugs modified with C60 fullerene derivatives
Beilstein Journal of NanotechnologyEmploying quantitative structure–activity relationship (QSAR)/ quantitative structure–property relationship (QSPR) models, this study explores the application of fullerene derivatives as nanocarriers for breast cancer chemotherapy drugs.
Jonathan-Siu-Loong Robles-Hernández +5 more
doaj +1 more source
Food Biomacromolecules, Volume 3, Issue 3, Page 444-465, September 2026.Bidirectional interactions between food‐derived sensory compounds, gut sensing and microbiota, host physiological feedback, and metabolite production within the food matrix collectively shape sensory perception, microbial dynamics, and metabolic health.
Mohammad Nazrul Islam Bhuiyan
wiley +1 more source
, 2012 The aim of this investigation was to develop a strategy for the formulation of a valid ecotoxicological-based QSAR while, at the same time, minimizing the required number of toxicological data points.
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Global Challenges, Volume 10, Issue 9, September 2026.Chemical pollution from persistent organic pollutants, polyfluoroalkyl substances, and heavy metals threatens humans, animals, and ecosystems, yet current monitoring remains fragmented and reactive. This review proposes an AI‐augmented One Health framework combining geospatial source tracking, multispecies exposome reconstruction, predictive toxicology,
Jose L. Domingo
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, 2012 The relative toxicity (log IGC50(-1)) of 49 selected aliphatic amines and aminoalkanols was evaluated in the static Tetrahymena pyriformis population growth impairment assay.
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Вісник Харківського національного університету: Серія xіміяThe study presents the results of a combined approach to the theoretical description of potential antiviral activity against COVID-19. We found that pharmacophore screening based on limited experimental data on "protein-ligand" binding complexes might ...
Dmytro Anokhin +7 more
doaj +1 more source
Intelligent design of artificial biocatalyst for biomedical diseases
Journal of Intelligent Medicine, Volume 3, Issue 3, Page 220-249, September 2026.This review summarizes recent advances in the intelligent design of artificial biocatalysts for biomedical diseases. By leveraging tailored design strategies, including environment‐responsive engineering and rational/artificial intelligence‐aided optimization, these biocatalysts enable precise modulation of pathological microenvironments and targeted ...
Lijie Zhang +3 more
wiley +1 more source