Search
Comparison Study of Computational Prediction Tools for Drug-Target Binding Affinities
ReferenceMaha Thafar , Arwa Bin Raies , Somayah Albaradei , Magbubah Essack , Vladimir B. Bajic Frontiers in Chemistry. 2019;7. The drug development is generally arduous, costly, and success rates are low. Thus, the identification of drug-target interactions …
In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery
ReferenceLauro Ribeiro de Souza Neto , José Teófilo Moreira-Filho , Bruno Junior Neves , RocÃo LucÃa Beatriz Riveros Maidana , Ana Carolina Ramos Guimarães , Nicholas Furnham , Carolina Horta Andrade , Floriano Paes Silva Frontiers in Chemistry. 2020;8. …
Artificial intelligence (AI)-it's the end of the tox as we know it (and I feel fine)
ReferenceNicole Kleinstreuer , Thomas Hartung Archives of Toxicology. 2024. doi: 10.1007/s00204-023-03666-2 The rapid progress of AI impacts diverse scientific disciplines, including toxicology, and has the potential to transform chemical safety evaluation. …
Alternative methods go green! Green toxicology as a sustainable approach for assessing chemical safety and designing safer chemicals
ReferenceAlexandra Maertens , Thomas Luechtefeld , Jean Knight , Thomas Hartung ALTEX. 2024;41(1):3-19. doi: 10.14573/altex.2312291 Green toxicology is marching chemistry into the 21st century. This emerging framework will transform how chemical safety is …
Artificial intelligence as the new frontier in chemical risk assessment
ReferenceThomas Hartung Frontiers in Artificial Intelligence. 2023;6:1269932. doi: 10.3389/frai.2023.1269932 The rapid progress of AI impacts various areas of life, including toxicology, and promises a major role for AI in future risk assessments. Toxicology has …
Using in silico tools to predict flame retardant metabolites for more informative exposomics-based approaches
ReferenceBreanne Kincaid , Przemyslaw Piechota , Emily Golden , Mikhail Maertens , Thomas Hartung , Alexandra Maertens Frontiers in Toxicology. 2023;5:1216802. doi: 10.3389/ftox.2023.1216802 Introduction: The positive identification of xenobiotics and their …
ToxAIcology - The evolving role of artificial intelligence in advancing toxicology and modernizing regulatory science
ReferenceThomas Hartung ALTEX. 2023;40(4):559-570. doi: 10.14573/altex.2309191 Toxicology has undergone a transformation from an observational science to a data-rich discipline ripe for artificial intelligence (AI) integration. The exponential growth in computing …
Data science opportunities of large language models for neuroscience and biomedicine
ReferenceDanilo Bzdok , Andrew Thieme , Oleksiy Levkovskyy , Paul Wren , Thomas Ray , Siva Reddy Neuron. 2024. doi: 10.1016/j.neuron.2024.01.016 https://www.cell.com/neuron/abstract/S0896-6273(24)00042-4 Library Collection(s) In Silico Download Citation BibTeX …
Human tissue models in cancer research: looking beyond the mouse
ReferenceSamuel J. Jackson , Gareth J. Thomas Disease Models & Mechanisms. 2017;10(8):939-942. doi: 10.1242/dmm.031260 Mouse models, including patient-derived xenograft mice, are widely used to address questions in cancer research. However, there are documented …
The methodological rigour of systematic reviews in environmental health
ReferenceJ. M. L. Menon , F. Struijs , P. Whaley Critical Reviews in Toxicology. 2022;52(3):167-187. doi: 10.1080/10408444.2022.2082917 While systematic reviews (SRs) are often perceived as a "gold standard" for evidence synthesis in environmental health and …