AI in drug discovery and its clinical relevance

R Qureshi, M Irfan, TM Gondal, S Khan, J Wu, MU Hadi… - Heliyon, 2023 - cell.com
The COVID-19 pandemic has emphasized the need for novel drug discovery process.
However, the journey from conceptualizing a drug to its eventual implementation in clinical …

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 …

[HTML][HTML] Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 2: a discussion of chemical and biological data

A Bender, I Cortes-Ciriano - Drug Discovery Today, 2021 - Elsevier
Highlights•Drug discovery data and data from other sources are different in quantity and
characteristics.•This article underlines the difference of data from different domains.•In order …

Utility of In Vitro Bioactivity as a Lower Bound Estimate of In Vivo Adverse Effect Levels and in Risk-Based Prioritization

K Paul Friedman, M Gagne, LH Loo… - Toxicological …, 2020 - academic.oup.com
Use of high-throughput, in vitro bioactivity data in setting a point-of-departure (POD) has the
potential to accelerate the pace of human health safety evaluation by informing screening …

Docking techniques in pharmacology: How much promising?

M Gupta, R Sharma, A Kumar - Computational biology and chemistry, 2018 - Elsevier
Docking techniques in pharmacology: How much promising? - ScienceDirect Skip to main
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IVIVE: Facilitating the Use of In Vitro Toxicity Data in Risk Assessment and Decision Making

X Chang, YM Tan, DG Allen, S Bell, PC Brown… - Toxics, 2022 - mdpi.com
During the past few decades, the science of toxicology has been undergoing a
transformation from observational to predictive science. New approach methodologies …

[HTML][HTML] Occurrence, hazard, and risk of psychopharmaceuticals and illicit drugs in European surface waters

CJE Davey, MHS Kraak, A Praetorius, TL Ter Laak… - Water Research, 2022 - Elsevier
This study aimed to provide insights into the risk posed by psychopharmaceuticals and illicit
drugs in European surface waters, and to identify current knowledge gaps hampering this …

TOXRIC: a comprehensive database of toxicological data and benchmarks

L Wu, B Yan, J Han, R Li, J Xiao, S He… - Nucleic Acids …, 2023 - academic.oup.com
The toxic effects of compounds on environment, humans, and other organisms have been a
major focus of many research areas, including drug discovery and ecological research …

[图书][B] Bioanalytical tools in water quality assessment

P Neale, F Leusch, B Escher - 2021 - library.oapen.org
The first edition of Bioanalytical Tools in Water Quality Assessment was released in 2012.
The field has exploded since and the second edition updates and reviews the application of …

Development of a roadmap for action on new approach methodologies in risk assessment

SE Escher, F Partosch, S Konzok… - EFSA Supporting …, 2022 - Wiley Online Library
While whole animal studies have their place in risk assessment of food and feed
components, it is thought that more modern approaches such as human focused new …