Rethinking drug design in the artificial intelligence era

P Schneider, WP Walters, AT Plowright… - Nature Reviews Drug …, 2020 - nature.com
Artificial intelligence (AI) tools are increasingly being applied in drug discovery. While some
protagonists point to vast opportunities potentially offered by such tools, others remain …

The Green ChemisTREE: 20 years after taking root with the 12 principles

HC Erythropel, JB Zimmerman, TM de Winter… - Green chemistry, 2018 - pubs.rsc.org
The field of Green Chemistry has seen many scientific discoveries and inventions during the
20 years since the 12 Principles were first published. Inspired by tree diagrams that illustrate …

ProTox-II: a webserver for the prediction of toxicity of chemicals

P Banerjee, AO Eckert, AK Schrey… - Nucleic acids …, 2018 - academic.oup.com
Advancement in the field of computational research has made it possible for the in silico
methods to offer significant benefits to both regulatory needs and requirements for risk …

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 …

A human liver microphysiology platform for investigating physiology, drug safety, and disease models

LA Vernetti, N Senutovitch, R Boltz… - Experimental …, 2016 - journals.sagepub.com
This paper describes the development and characterization of a microphysiology platform
for drug safety and efficacy in liver models of disease that includes a human, 3D …

Advances in predicting organic contaminant abatement during ozonation of municipal wastewater effluent: reaction kinetics, transformation products, and changes of …

Y Lee, U Von Gunten - Environmental Science: Water Research & …, 2016 - pubs.rsc.org
Ozonation of municipal wastewater effluent has been considered in recent years as an
enhanced wastewater treatment technology to abate trace organic contaminants …

[HTML][HTML] Human liver-kidney model elucidates the mechanisms of aristolochic acid nephrotoxicity

SY Chang, EJ Weber, VS Sidorenko, A Chapron… - JCI insight, 2017 - ncbi.nlm.nih.gov
Environmental exposures pose a significant threat to human health. However, it is often
difficult to study toxicological mechanisms in human subjects due to ethical concerns. Plant …

The regulation of endocrine-disrupting chemicals to minimize their impact on health

C Duh-Leong, MV Maffini, CD Kassotis… - Nature Reviews …, 2023 - nature.com
Endocrine-disrupting chemicals (EDCs) are substances generated by human industrial
activities that are detrimental to human health through their effects on the endocrine system …

Machine learning in predictive toxicology: recent applications and future directions for classification models

MWH Wang, JM Goodman… - Chemical research in …, 2020 - ACS Publications
In recent times, machine learning has become increasingly prominent in predictive
toxicology as it has shifted from in vivo studies toward in silico studies. Currently, in vitro …

Airway-on-a-chip: designs and applications for lung repair and disease

TJ Bennet, A Randhawa, J Hua, KC Cheung - Cells, 2021 - mdpi.com
The lungs are affected by illnesses including asthma, chronic obstructive pulmonary
disease, and infections such as influenza and SARS-CoV-2. Physiologically relevant models …