[HTML][HTML] IUPHAR review–Data-driven computational drug repurposing approaches for opioid use disorder
Abstract Opioid Use Disorder (OUD) is a chronic and relapsing condition characterized by
the misuse of opioid drugs, causing significant morbidity and mortality in the United States …
the misuse of opioid drugs, causing significant morbidity and mortality in the United States …
The Promises and Perils of Foundation Models in Dermatology
H Gui, JA Omiye, CT Chang, R Daneshjou - Journal of Investigative …, 2024 - Elsevier
Foundation models (FM), which are large-scale artificial intelligence (AI) models that can
complete a range of tasks, represent a paradigm shift in AI. These versatile models …
complete a range of tasks, represent a paradigm shift in AI. These versatile models …
How deep learning in antiviral molecular profiling identified anti-SARS-CoV-2 inhibitors
M Ali, IH Park, J Kim, G Kim, J Oh, JS You, J Kim… - Biomedicines, 2023 - mdpi.com
The integration of artificial intelligence (AI) into drug discovery has markedly advanced the
search for effective therapeutics. In our study, we employed a comprehensive computational …
search for effective therapeutics. In our study, we employed a comprehensive computational …
Targeting the Main Protease (Mpro, nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies
N Altincekic, N Jores, F Löhr, C Richter… - ACS Chemical …, 2024 - ACS Publications
The main protease Mpro, nsp5, of SARS-CoV-2 (SCoV2) is one of its most attractive drug
targets. Here, we report primary screening data using nuclear magnetic resonance …
targets. Here, we report primary screening data using nuclear magnetic resonance …
[HTML][HTML] AI-driven smart pharmacology
L Xiao, Y Zhang - Intelligent Pharmacy, 2023 - Elsevier
With the progress of digital technology and innovative drug R&D, machine learning and data-
driven algorithms have been increasingly used to support the core work of pharmaceutical …
driven algorithms have been increasingly used to support the core work of pharmaceutical …
Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches
J Hazemann, T Kimmerlin, R Lange… - RSC Medicinal …, 2024 - pubs.rsc.org
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused a global
pandemic of coronavirus disease (COVID-19) since its emergence in December 2019. As of …
pandemic of coronavirus disease (COVID-19) since its emergence in December 2019. As of …
Synergizing Foundation Models and Federated Learning: A Survey
The recent development of Foundation Models (FMs), represented by large language
models, vision transformers, and multimodal models, has been making a significant impact …
models, vision transformers, and multimodal models, has been making a significant impact …
Target-aware Molecule Generation for Drug Design Using a Chemical Language Model*
Generative drug design facilitates the creation of compounds effective against specific
pathogenic target proteins. This opens up the potential to discover novel compounds within …
pathogenic target proteins. This opens up the potential to discover novel compounds within …
Deep learning-based design and screening of benzimidazole-pyrazine derivatives as adenosine A2B receptor antagonists
R Qin, H Zhang, W Huang, Z Shao… - Journal of Biomolecular …, 2023 - Taylor & Francis
Abstract The Adenosine A2B receptor (A2BAR) is considered a novel potential target for the
immunotherapy of cancer, and A2BAR antagonists have an inhibitory effect on tumor growth …
immunotherapy of cancer, and A2BAR antagonists have an inhibitory effect on tumor growth …
AI for Manufacturing and Healthcare: a chemistry and engineering perspective
Artificial Intelligence (AI) approaches are increasingly being applied to more and more
domains of Science, Engineering, Chemistry, and Industries to not only improve efficiencies …
domains of Science, Engineering, Chemistry, and Industries to not only improve efficiencies …