Results 51 to 60 of about 2,598,515 (356)

High-throughput AR dimerization assay identifies androgen disrupting chemicals and metabolites

Frontiers in Toxicology, 2023
Introduction: Analysis of streamlined computational models used to predict androgen disrupting chemicals revealed that assays measuring androgen receptor (AR) cofactor recruitment/dimerization were particularly indispensable to high predictivity ...
Evan C. Brown, Evan C. Brown, Daniel R. Hallinger, Steven O. Simmons   +3 more
doaj   +1 more source

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

An Ensemble Model of QSAR Tools for Regulatory Risk Assessment [PDF]

, 2016
Quantitative structure activity relationships (QSARs) are theoretical models that relate a quantitative measure of chemical structure to a physical property or a biological effect.
Merrill, Stephen, Povinelli, Richard J., Pradeep, Prachi, White, Shannon   +3 more
core   +4 more sources

Assembly and Curation of Lists of Per- and Polyfluoroalkyl Substances (PFAS) to Support Environmental Science Research

Frontiers in Environmental Science, 2022
Per- and polyfluoroalkyl substances (PFAS) are a class of man-made chemicals of global concern for many health and regulatory agencies due to their widespread use and persistence in the environment (in soil, air, and water), bioaccumulation, and toxicity.
Antony J. Williams, Linda G. T. Gaines, Christopher M. Grulke, Charles N. Lowe, Gabriel F. B. Sinclair, Vicente Samano, Inthirany Thillainadarajah, Bryan Meyer, Grace Patlewicz, Ann M. Richard   +9 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

Computational toxicology, friend or foe? [PDF]

Toxicol. Res., 2015
Computational approaches offer the attraction of being both fast and cheap to run being able to process thousands of chemical structures in a few minutes. As with all new technology, there is a tendency for these approaches to be hyped up and claims of reliability and performance may be exaggerated. So just how good are these computational methods?
William Pennie, Nigel Greene
openaire   +2 more sources

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

Development of Prediction Models for Drug-Induced Cholestasis, Cirrhosis, Hepatitis, and Steatosis Based on Drug and Drug Metabolite Structures

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, Myung-Gyun Kang, Daeui Park, Daeui Park, Tamina Park, Tamina Park, Seokjoo Yoon, Seokjoo Yoon   +7 more
doaj   +1 more source

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, Chris M. Grulke, Richard S. Judson, Antony J. Williams   +3 more
doaj   +1 more source

Cell transformation assays for prediction of carcinogenic potential: State of the science and future research needs [PDF]

, 2011
Copyright @ 2011 The Authors. This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/3.0), which permits unrestricted non-commercial use ...
A. D. Scott, A. Poth, A. Sakai, Asada, Ashby, Bernardi, Berwald, Berwald, Boehm, Campisi, Carmichael, Cohen, Dolma, Evan, F. L. Martin, Farmer, H. Yasaei, Haga, Huberman, Isfort, Isfort, Isfort, J. S. Harvey, K. Pant, K. Sasaki, Kelly, Kerckaert, Kirkland, Kirkland, L. M. Schechtman, Layer, LeBoeuf, LeBoeuf, M. J. Aardema, M. R. O'Donovan, Martin, Martinez-Lopez de Castro, Mauthe, McCarvill, N. Tanaka, Newbold, Newbold, P. L. Carmichael, Pang, Pant, Pant, Pfuhler, R. F. Newbold, R. R. Shen, Robinson, Russo, S. Creton, Sakai, Sakai, Schechtman, Schinzel, Shen, Sheng, Stampfer, Stinghen, Syed, Trevisan, Visvader, Walsh, Zakut, Zhao   +65 more
core   +2 more sources