Results 21 to 30 of about 73,306 (292)

Systems biology and synthetic biology: A new epoch for toxicology research [PDF]

, 2014
Copyright © 2015 Mark T. Mc Auley et al. This is an open access article distributed under the Creative Commons Attribution License 3.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly ...
Choi, Hyunok, Mc Auley, Mark T., Miller, Veronica M., Mooney, Kathleen M., Paul, Emily   +4 more
core   +7 more sources

Data Quality in Predictive Toxicology: Identification of Chemical Structures and Calculation of Chemical Descriptors [PDF]

, 2000
Every technique for toxicity prediction and for the detection of structure–activity relationships relies on the accurate estimation and representation of chemical and toxicologic properties.
Gottmann, Eva, Helma, Christoph, Kramer, Stefan, Pfahringer, Bernhard   +3 more
core   +3 more sources

Computational toxicology using the OpenTox application programming interface and Bioclipse

BMC Research Notes, 2011
Background Toxicity is a complex phenomenon involving the potential adverse effect on a range of biological functions. Predicting toxicity involves using a combination of experimental data (endpoints) and computational methods to generate a set of ...
Willighagen Egon L, Jeliazkova Nina, Hardy Barry, Grafström Roland C, Spjuth Ola   +4 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, Chroneos, Alexander, Iyngaran, Poobalasuntharam, Kuganathan, Navaratnarajah, Selvanantharajah, Namasivayam   +4 more
core   +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, Christopher M. Grulke, Jeff Edwards, Andrew D. McEachran, Kamel Mansouri, Nancy C. Baker, Grace Patlewicz, Imran Shah, John F. Wambaugh, Richard S. Judson, Ann M. Richard   +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, Mark A. Arick, E. Alice Woolard, Mitchell Wilbanks, John E. Mylroie, Kathleen Jensen, Michael Kahl, David Feifarek, Shane Poole, Eric Randolph, Jenna Cavallin, Brett R. Blackwell, Daniel Villeneuve, Gerald T. Ankley, Edward J. Perkins   +14 more
doaj   +1 more source

Optimization of Human Neural Progenitor Cells for an Imaging-Based High-Throughput Phenotypic Profiling Assay for Developmental Neurotoxicity Screening

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, Johanna Nyffeler, Johanna Nyffeler, Clinton Willis, Joshua A. Harrill   +4 more
doaj   +1 more source

Genotoxicity assessment of piperitenone oxide: an in vitro and in silico evaluation [PDF]

, 2017
Piperitenone oxide, a natural flavouring agent also known as rotundifolone, has been studied for the genotoxicity assessment by an integrated in vitro and in silico experimental approach, including the bacterial reverse mutation assay, the micronucleus ...
Abete, Lorena, Barile, Fabio, Bozovic, Mijat, DI GIACOMO, Silvia, DI SOTTO, Antonella, Izzo, Angelo A, Mazzanti, Gabriela, Parisi, Olga A, Ragno, Rino, Vitalone, Annabella   +9 more
core   +1 more source

Leveraging a High-Throughput Screening Method to Identify Mechanisms of Individual Susceptibility Differences in a Genetically Diverse Zebrafish Model

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, Jane La Du, Preethi Thunga, Daniel Elson, Lisa Truong, Siva K. Kolluri, Robyn L. Tanguay, David M. Reif   +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