Frontiers in Toxicology, 2022 Studies in in vivo rodent models have been the accepted approach by regulatory agencies to evaluate potential developmental neurotoxicity (DNT) of chemicals for decades. These studies, however, are inefficient and cannot meet the demand for the thousands
Megan Culbreth +4 more
doaj +1 more source
The CompTox Chemistry Dashboard: a community data resource for environmental chemistry
Journal of Cheminformatics, 2017 Despite an abundance of online databases providing access to chemical data, there is increasing demand for high-quality, structure-curated, open data to meet the various needs of the environmental sciences and computational toxicology communities.
Antony J. Williams +10 more
doaj +1 more source
Male fathead minnow transcriptomes and associated chemical analytes in the Milwaukee estuary system
Scientific Data, 2022 Measurement(s) transcripts • water chemistry Technology Type(s) RNAseq • GC/MS Factor Type(s) exposure Sample Characteristic - Organism Pimephales promelas Sample Characteristic - Environment estuary system Sample Characteristic - Location Milwaukee, WI,
Natàlia Garcia-Reyero +14 more
doaj +1 more source
Cadmium trapping by C60 and B-, Si-, and N-doped C60 [PDF]
, 2019 The removal of heavy metals from the environment has attracted considerable attention as they are toxic and non-biodegradable or destroyable. To minimize their hazard, they should be removed through either physical or chemical capture. Cadmium is a heavy
Abiman, Poobalasingam +4 more
core +1 more source
Frontiers in Toxicology, 2022 Understanding the mechanisms behind chemical susceptibility differences is key to protecting sensitive populations. However, elucidating gene-environment interactions (GxE) presents a daunting challenge.
Dylan J. Wallis +7 more
doaj +1 more source
Correlations between experimental and theoretical adiabatic ionization energies for organic compounds and rate constants for atmospheric reactions with hydroxyl radicals [PDF]
, 2010 Adiabatic ionization energy (AIE) calculations were performed at the AM1, PM3, PM6, PDDG, HF/QZVP, and B3LYP/QZVP levels of theory on 722 atmospherically relevant organic compounds with available experimental rate constants for atmospheric reactions with
Kaya Forest, Sierra Rayne
core +2 more sources
A computational model of the hypothalamic - pituitary - gonadal axis in female fathead minnows (Pimephales promelas) exposed to 17α-ethynylestradiol and 17β-trenbolone [PDF]
, 2011 © 2011 Li et al; licensee BioMed Central Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and ...
Ankley, GT +12 more
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DNA damage and repair proteins in cellular response to sulfur mustard in Iranian veterans more than two decades after exposure [PDF]
, 2018 Delayed effects of sulfur mustard (SM) exposure on the levels of five important damage/repair proteins were investigated in 40 SM-exposed veterans of Iran-Iraq war and 35 unexposed controls.
Balali-Mood, Mahdi +7 more
core +2 more sources
Agent-based modeling: a systematic assessment of use cases and requirements for enhancing pharmaceutical research and development productivity. [PDF]
, 2013 A crisis continues to brew within the pharmaceutical research and development (R&D) enterprise: productivity continues declining as costs rise, despite ongoing, often dramatic scientific and technical advances. To reverse this trend, we offer various
Hunt, C. Anthony +4 more
core +2 more sources
OPERA models for predicting physicochemical properties and environmental fate endpoints
Journal of Cheminformatics, 2018 The collection of chemical structure information and associated experimental data for quantitative structure–activity/property relationship (QSAR/QSPR) modeling is facilitated by an increasing number of public databases containing large amounts of useful
Kamel Mansouri +3 more
doaj +1 more source