Toxicity testing in the 21st century: progress in the past decade and future perspectives

D Krewski, ME Andersen, MG Tyshenko… - Archives of …, 2020 - Springer
Advances in the biological sciences have led to an ongoing paradigm shift in toxicity testing
based on expanded application of high-throughput in vitro screening and in silico methods …

Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA

JR Sobus, JF Wambaugh, KK Isaacs… - Journal of exposure …, 2018 - nature.com
Tens-of-thousands of chemicals are registered in the US for use in countless processes and
products. Recent evidence suggests that many of these chemicals are measureable in …

The next generation blueprint of computational toxicology at the US Environmental Protection Agency

RS Thomas, T Bahadori, TJ Buckley… - Toxicological …, 2019 - academic.oup.com
Abstract The US Environmental Protection Agency (EPA) is faced with the challenge of
efficiently and credibly evaluating chemical safety often with limited or no available toxicity …

Toxicity prediction based on artificial intelligence: A multidisciplinary overview

E Pérez Santín, R Rodríguez Solana… - Wiley …, 2021 - Wiley Online Library
The use and production of chemical compounds are subjected to strong legislative pressure.
Chemical toxicity and adverse effects derived from exposure to chemicals are key regulatory …

Consensus modeling of median chemical intake for the US population based on predictions of exposure pathways

CL Ring, JA Arnot, DH Bennett… - … science & technology, 2018 - ACS Publications
Prioritizing the potential risk posed to human health by chemicals requires tools that can
estimate exposure from limited information. In this study, chemical structure and …

Integrated transfer learning and multitask learning strategies to construct graph neural network models for predicting bioaccumulation parameters of chemicals

Z **ao, M Zhu, J Chen, Z You - Environmental Science & …, 2024 - ACS Publications
Accurate prediction of parameters related to the environmental exposure of chemicals is
crucial for the sound management of chemicals. However, the lack of large data sets for …

[HTML][HTML] Innovative analytical methodologies for characterizing chemical exposure with a view to next-generation risk assessment

Ž Tkalec, JP Antignac, N Bandow, FM Béen… - Environment …, 2024 - Elsevier
The chemical burden on the environment and human population is increasing.
Consequently, regulatory risk assessment must keep pace to manage, reduce, and prevent …

[HTML][HTML] Consensus statement on the need for innovation, transition and implementation of developmental neurotoxicity (DNT) testing for regulatory purposes

E Fritsche, P Grandjean, KM Crofton, M Aschner… - Toxicology and applied …, 2018 - Elsevier
This consensus statement voices the agreement of scientific stakeholders from regulatory
agencies, academia and industry that a new framework needs adopting for assessment of …

Transfer and multi-task learning in QSAR modeling: advances and challenges

RS Simões, VG Maltarollo, PR Oliveira… - Frontiers in …, 2018 - frontiersin.org
Medicinal chemistry projects involve some steps aiming to develop a new drug, such as the
analysis of biological targets related to a given disease, the discovery and the development …

New approach methodologies for exposure science

JF Wambaugh, JC Bare, CC Carignan… - Current Opinion in …, 2019 - Elsevier
Chemical risk assessment relies on knowledge of hazard, the dose–response relationship,
and exposure to characterize potential risks to public health and the environment. A …