Results 91 to 100 of about 70,828 (242)

Chemical research projects office: An overview and bibliography, 1975-1980 [PDF]

The activities of the Chemical Research Projects Office at Ames Research Center, Moffett Field, California are reported. The office conducts basic and applied research in the fields of polymer chemistry, computational chemistry, polymer physics, and ...
Heimbuch, A. H., Kourtides, D. A., Parker, J. A.   +2 more
core   +1 more source

ADME/Tox WEB in silico predictions of longer chain perfluoroalkyl carboxylic acid pKa values are more accurate than other computational methods [PDF]

, 2009
Perfluoroalkyl carboxylates are contaminants whose environmental fate and toxicological effects are of broad interest within the academic, industrial, and governmental science and regulatory communities.
Kaya Forest, Sierra Rayne
core   +1 more source

Species translatable blood gene signature as a marker of exposure to smoking: Computational approaches of the top ranked teams in the sbv IMPROVER Systems Toxicology Challenge [PDF]

, 2017
Ömer Saraç, Rahul Kumar, Sandeep Kumar Dhanda, Ali Tuğrul Balcı, İsmail Bilgen, Roberto Romero, Adi L. Tarca   +6 more
openalex   +1 more source

Computational Modeling, Molecular Docking, Pharmacokinetic & Toxicological Studies of 1, 5- Diphenyl-2, 4-Disubstituted- 1H-Imidazole for Antioxidant Activity

, 2023
Sonawane Rutuja, Krishnan Karthickeyan
openalex   +2 more sources

Editorial: Application of computational tools to health and environmental sciences, Volume II

Frontiers in Pharmacology, 2022
Patricia Ruiz, George Loizou
doaj   +1 more source

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox [PDF]

, 2019
Marie-Léonie Bohlen, Hyun Pyo Jeon, Young Jun Kim, Baeckkyoung Sung   +3 more
openalex   +1 more source

Optimizing androgen receptor prioritization using high-throughput assay-based activity models

Frontiers in Toxicology
Introduction: Computational models using data from high-throughput screening assays have promise for prioritizing and screening chemicals for testing under the U.S. Environmental Protection Agency’s Endocrine Disruptor Screening Program (EDSP).
Ronnie Joe Bever, Stephen W. Edwards, Todor Antonijevic, Mark D. Nelms, Caroline Ring, Danni Harris, Scott G. Lynn, David Williams, Grace Chappell, Rebecca Boyles, Susan Borghoff, Kristan J. Markey   +11 more
doaj   +1 more source

Use of computational toxicology tools to predict in vivo endpoints associated with Mode of Action and the endocannabinoid system: A case study with chlorpyrifos, chlorpyrifos-oxon and ^Δ9Tetrahydrocannabinol. [PDF]

Curr Res Toxicol, 2022
Silva M, Kwok RK.
europepmc   +1 more source

Computational Tools to Facilitate Early Warning of New Emerging Risk Chemicals

Toxics
Innovative tools suitable for chemical risk assessment are being developed in numerous domains, such as non-target chemical analysis, omics, and computational approaches. These methods will also be critical components in an efficient early warning system
Farina Tariq, Lutz Ahrens, Nikiforos A. Alygizakis, Karine Audouze, Emilio Benfenati, Pedro N. Carvalho, Ioana Chelcea, Spyros Karakitsios, Achilleas Karakoltzidis, Vikas Kumar, Liadys Mora Lagares, Dimosthenis Sarigiannis, Gianluca Selvestrel, Olivier Taboureau, Katrin Vorkamp, Patrik L. Andersson   +15 more
doaj   +1 more source

2018 State-of the Science of Dispersants and Dispersed Oil (DDO) in U.S. Arctic Waters: Eco-Toxicity and Sublethal Impacts [PDF]

, 2018
Chemical dispersants were employed on an unprecedented scale during the Deepwater Horizon oil spill in the Gulf of Mexico, and could be a response option should a large spill occur in Arctic waters. The use of dispersants in response to that spill raised
Coastal Response Research Center (CRRC)
core   +1 more source