Artificial intelligence in drug toxicity prediction: recent advances, challenges, and future perspectives

TTV Tran, A Surya Wibowo, H Tayara… - Journal of chemical …, 2023 - ACS Publications
Toxicity prediction is a critical step in the drug discovery process that helps identify and
prioritize compounds with the greatest potential for safe and effective use in humans, while …

Screening out irrelevant cell-based models of disease

P Horvath, N Aulner, M Bickle, AM Davies… - Nature reviews Drug …, 2016 - nature.com
The common and persistent failures to translate promising preclinical drug candidates into
clinical success highlight the limited effectiveness of disease models currently used in drug …

[HTML][HTML] Performance assessment and economic analysis of a human Liver-Chip for predictive toxicology

L Ewart, A Apostolou, SA Briggs, CV Carman… - Communications …, 2022 - nature.com
Background Conventional preclinical models often miss drug toxicities, meaning the harm
these drugs pose to humans is only realized in clinical trials or when they make it to market …

[HTML][HTML] High-fidelity drug-induced liver injury screen using human pluripotent stem cell–derived organoids

T Shinozawa, M Kimura, Y Cai, N Saiki, Y Yoneyama… - Gastroenterology, 2021 - Elsevier
Abstract Background & Aims Preclinical identification of compounds at risk of causing drug
induced liver injury (DILI) remains a significant challenge in drug development, highlighting …

Quantum dots: Applications and safety consequences

VG Reshma, PV Mohanan - Journal of Luminescence, 2019 - Elsevier
Nanotechnology is one of the frontier areas of research involving nanoscale manipulation of
atoms and molecules. Its development is one of the most innovative advancement of …

Evolution of strategies to improve preclinical cardiac safety testing

G Gintant, PT Sager, N Stockbridge - Nature reviews Drug discovery, 2016 - nature.com
The early and efficient assessment of cardiac safety liabilities is essential to confidently
advance novel drug candidates. This article discusses evolving mechanistically based …

[HTML][HTML] Utility of spherical human liver microtissues for prediction of clinical drug-induced liver injury

WR Proctor, AJ Foster, J Vogt, C Summers… - Archives of …, 2017 - Springer
Drug-induced liver injury (DILI) continues to be a major source of clinical attrition,
precautionary warnings, and post-market withdrawal of drugs. Accordingly, there is a need …

[HTML][HTML] Characterization of primary human hepatocytes, HepG2 cells, and HepaRG cells at the mRNA level and CYP activity in response to inducers and their …

HHJ Gerets, K Tilmant, B Gerin, H Chanteux… - Cell biology and …, 2012 - Springer
In the pharmaceutical industry, improving the early detection of drug-induced hepatotoxicity
is essential as it is one of the most important reasons for attrition of candidate drugs during …

Thousands of chemical starting points for antimalarial lead identification

FJ Gamo, LM Sanz, J Vidal, C De Cozar, E Alvarez… - Nature, 2010 - nature.com
Malaria is a devastating infection caused by protozoa of the genus Plasmodium. Drug
resistance is widespread, no new chemical class of antimalarials has been introduced into …

[HTML][HTML] Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research

D Fourches, E Muratov, A Tropsha - Journal of chemical information …, 2010 - ncbi.nlm.nih.gov
Molecular modelers and cheminformaticians typically analyze experimental data generated
by other scientists. Consequently, when it comes to data accuracy, cheminformaticians are …