Results 21 to 30 of about 70,828 (242)

Estimating provisional margins of exposure for data-poor chemicals using high-throughput computational methods

open access: yesFrontiers in Pharmacology, 2022
Current computational technologies hold promise for prioritizing the testing of the thousands of chemicals in commerce. Here, a case study is presented demonstrating comparative risk-prioritization approaches based on the ratio of surrogate hazard and ...
Chantel I. Nicolas   +10 more
doaj   +1 more source

Usage of model combination in computational toxicology

open access: yesToxicology Letters, 2023
New Approach Methodologies (NAMs) have ushered in a new era in the field of toxicology, aiming to replace animal testing. However, despite these advancements, they are not exempt from the inherent complexities associated with the study's endpoint. In this review, we have identified three major groups of complexities: mechanistic, chemical space, and ...
Rodríguez-Belenguer, Pablo   +4 more
openaire   +2 more sources

Systems toxicology: real world applications and opportunities [PDF]

open access: yes, 2017
Systems Toxicology aims to change the basis of how adverse biological effects of xenobiotics are characterized from empirical end points to describing modes of action as adverse outcome pathways and perturbed networks. Toward this aim, Systems Toxicology
Amin Rostami-Hodjegan   +14 more
core   +2 more sources

Proteomics for systems toxicology

open access: yesComputational and Structural Biotechnology Journal, 2014
Current toxicology studies frequently lack measurements at molecular resolution to enable a more mechanism-based and predictive toxicological assessment.
Bjoern Titz   +7 more
doaj   +1 more source

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

open access: yesFrontiers 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   +3 more
doaj   +1 more source

A Combined In Vitro/In Silico Approach to Identifying Off-Target Receptor Toxicity

open access: yesiScience, 2018
Summary: Many xenobiotics can bind to off-target receptors and cause toxicity via the dysregulation of downstream transcription factors. Identification of subsequent off-target toxicity in these chemicals has often required extensive chemical testing in ...
Joseph Leedale   +9 more
doaj   +1 more source

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

open access: yes, 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   +4 more
core   +7 more sources

Male fathead minnow transcriptomes and associated chemical analytes in the Milwaukee estuary system

open access: yesScientific 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

A Survey of Computational Toxicology Approaches [PDF]

open access: yesKafrelsheikh Journal of Information Sciences, 2021
Medications are a particular kind of chemicals that are considered essential for toxicity screening in contrast to those substances that contribute to the environment. In the development and production phases, toxicity is still the reason for a great number of candidate failures for new medicines.
openaire   +1 more source

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

open access: yes, 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   +3 more
core   +3 more sources

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