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
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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
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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
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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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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
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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
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Supplement use in sport: is there a potentially dangerous incongruence between rationale and practice? [PDF]
, 2007 BACKGROUND: Supplement use by athletes is complex and research supports the alarming notion of misinformed decisions regarding supplements. HYPOTHESIS: A frequent divergence between the type of supplements chosen by athletes and the rationale dictating ...
Naughton, Declan, Petróczi, Andrea
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Frontiers in Pharmacology, 2020 Drug-induced liver injury (DILI) is one of the major reasons for termination of drug development. Due to the importance of predicting DILI in early phases of drug development, diverse in silico models have been developed to filter out DILI-causing ...
Hyun Kil Shin +7 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
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Molecules, 2022 Nowadays, increasing interest has recently been given to the exploration of new food preservatives to avoid foodborne outbreaks or food spoilage. Likewise, new compounds that substitute the commonly used synthetic food preservatives are required to ...
Sarra Akermi +9 more
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