Identification and prioritization of environmental organic pollutants: from an analytical and toxicological perspective
Exposure to environmental organic pollutants has triggered significant ecological impacts
and adverse health outcomes, which have been received substantial and increasing …
and adverse health outcomes, which have been received substantial and increasing …
A framework for establishing scientific confidence in new approach methodologies
AJ Van Der Zalm, J Barroso, P Browne, W Casey… - Archives of …, 2022 - Springer
Robust and efficient processes are needed to establish scientific confidence in new
approach methodologies (NAMs) if they are to be considered for regulatory applications …
approach methodologies (NAMs) if they are to be considered for regulatory applications …
Machine learning: new ideas and tools in environmental science and engineering
The rapid increase in both the quantity and complexity of data that are being generated daily
in the field of environmental science and engineering (ESE) demands accompanied …
in the field of environmental science and engineering (ESE) demands accompanied …
Artificial intelligence and machine learning approaches for drug design: challenges and opportunities for the pharmaceutical industries
C Selvaraj, I Chandra, SK Singh - Molecular diversity, 2021 - Springer
The global spread of COVID-19 has raised the importance of pharmaceutical drug
development as intractable and hot research. Developing new drug molecules to overcome …
development as intractable and hot research. Developing new drug molecules to overcome …
CATMoS: collaborative acute toxicity modeling suite
K Mansouri, AL Karmaus, J Fitzpatrick… - Environmental …, 2021 - ehp.niehs.nih.gov
Background: Humans are exposed to tens of thousands of chemical substances that need to
be assessed for their potential toxicity. Acute systemic toxicity testing serves as the basis for …
be assessed for their potential toxicity. Acute systemic toxicity testing serves as the basis for …
Developing QSAR models with defined applicability domains on PPARγ binding affinity using large data sets and machine learning algorithms
Chemicals may cause adverse effects on human health through binding to peroxisome
proliferator-activated receptor γ (PPARγ). Hence, binding affinity is useful for evaluating …
proliferator-activated receptor γ (PPARγ). Hence, binding affinity is useful for evaluating …
Guidance Document on Scientific criteria for grouping chemicals into assessment groups for human risk assessment of combined exposure to multiple chemicals
EFSA Scientific Committee, SJ More, V Bampidis… - EFSA …, 2021 - Wiley Online Library
This guidance document provides harmonised and flexible methodologies to apply scientific
criteria and prioritisation methods for grouping chemicals into assessment groups for human …
criteria and prioritisation methods for grouping chemicals into assessment groups for human …
Structure-based prediction of hERG-related cardiotoxicity: A benchmark study
Drug-induced blockade of the human ether-à-go-go-related gene (hERG) channel is today
considered the main cause of cardiotoxicity in postmarketing surveillance. Hence, several …
considered the main cause of cardiotoxicity in postmarketing surveillance. Hence, several …
Quick and efficient quantitative predictions of androgen receptor binding affinity for screening endocrine disruptor chemicals using 2D-QSAR and chemical read …
Abstract Endocrine Disruptor Chemicals are synthetic or natural molecules in the
environment that promote adverse modifications of endogenous hormone regulation in …
environment that promote adverse modifications of endogenous hormone regulation in …
Artificial intelligence (AI)—it's the end of the tox as we know it (and I feel fine)
N Kleinstreuer, T Hartung - Archives of Toxicology, 2024 - Springer
The rapid progress of AI impacts diverse scientific disciplines, including toxicology, and has
the potential to transform chemical safety evaluation. Toxicology has evolved from an …
the potential to transform chemical safety evaluation. Toxicology has evolved from an …