Research graph
References from Mechanism-aware and safety-validated AI for drug repurposing: a critical review and translational pharmacology framework. Local targets link to admitted publications; unresolved targets remain external evidence.
Computational/in silico methods in drug target and lead prediction
10.1093/bib/bbz103 · 2020 · External reference
Unresolved reference
2024 · External reference
A comprehensive review of multimodal deep learning for enhanced medical diagnostics
10.32604/cmc.2025.065571 · 2025 · External reference
Polypharmacology: challenges and opportunities in drug discovery: miniperspective
10.1021/jm5006463 · 2014 · External reference
Unresolved reference
2024 · External reference
Machine learning for multi-target drug discovery: challenges and opportunities in systems pharmacology
10.3390/pharmaceutics17091186 · 2025 · External reference
Ai-driven transcriptome prediction in human pathology: from molecular insights to clinical applications
10.3390/biology14060651 · 2025 · External reference
Network-based approach to prediction and population-based validation of in silico drug repurposing
10.1038/s41467-018-05116-5 · 2018 · External reference
TRIPOD+ AI statement: updated guidance for reporting clinical prediction models that use regression or machine learning methods
10.1136/bmj-2023-078378 · 2024 · External reference
Unresolved reference
2018 · External reference
Unresolved reference
2026 · External reference
Unresolved reference
2024 · External reference
Detecting hallucinations in large language models using semantic entropy
10.1038/s41586-024-07421-0 · 2024 · External reference
In vitro drug interaction studies—Cytochrome P450 enzyme-and transporter-mediated drug interactions guidance for industry
2020 · External reference
Unresolved reference
2022 · External reference
The REporting of A disproportionality analysis for DrUg safety signal detection using individual case safety reports in PharmacoVigilance (READUS-PV): explanation and elaboration
10.1007/s40264-024-01423-7 · 2024 · External reference
Computer-aided diagnosis systems: a comparative study of classical machine learning versus deep learning-based approaches
10.1007/s10115-023-01894-7 · 2023 · External reference
Network-based in silico drug efficacy screening
10.1038/ncomms10331 · 2016 · External reference
Using big data to emulate a target trial when a randomized trial is not available
10.1093/aje/kwv254 · 2016 · External reference
Systematic integration of biomedical knowledge prioritizes drugs for repurposing
10.7554/elife.26726 · 2017 · External reference
In silico methods for drug repurposing and pharmacology
10.1002/wsbm.1337 · 2016 · External reference
Rehabilitation assistive technology transfer in the AI era: network dynamics and public health impacts in the yangtze river Delta, China
10.3389/fpubh.2026.1752396 · 2026 · External reference
A foundation model for clinician-centered drug repurposing
10.1038/s41591-024-03233-x · 2024 · External reference
Zero-shot drug repurposing with geometric deep learning and clinician centered design
2023 · External reference
Attention is not explanation
10.18653/v1/n19-1357 · 2019 · External reference
Explainable drug repurposing via path based knowledge graph completion
10.1038/s41598-024-67163-x · 2024 · External reference
Using artificial intelligence to identify drugs for repurposing to treat l-DOPA-induced dyskinesia
10.1016/j.neuropharm.2024.109880 · 2024 · External reference
Baricitinib plus remdesivir for hospitalized adults with Covid-19
10.1056/nejmoa2031994 · 2021 · External reference
Systematic functional regulatory assessment of disease-associated variants
10.1073/pnas.1219099110 · 2013 · External reference
10.1101/2025.02.28.25323115
10.1101/2025.02.28.25323115 · 2025 · External reference
10.18653/v1/2024.findings-emnlp.726
10.18653/v1/2024.findings-emnlp.726 · 2024 · External reference
Drugs and their molecular targets: an updated overview
10.1111/j.1472-8206.2007.00548.x · 2008 · External reference
Recent advances in AI-based toxicity prediction for drug discovery
10.3389/fchem.2025.1632046 · 2025 · External reference
Retrieval-augmented generation for knowledge-intensive nlp tasks
2020 · External reference
An improved anticancer drug-response prediction based on an ensemble method integrating matrix completion and ridge regression
10.1016/j.omtn.2020.07.003 · 2020 · External reference
A deep learning framework for drug repurposing via emulating clinical trials on real-world patient data
10.1038/s42256-020-00276-w · 2021 · External reference
Pharmacovigilance analysis of FcRn antagonists in the treatment of myasthenia gravis: a disproportionality analysis based on the FAERS database
10.1080/21645515.2025.2586335 · 2025 · External reference
Peptide-based system for sensing Pb2+ and molecular logic computing
10.1016/j.ab.2021.114333 · 2021 · External reference
KGML-xDTD: a knowledge graph–based machine learning framework for drug treatment prediction and mechanism description
10.1093/gigascience/giad057 · 2023 · External reference
Knowledge graphs and their applications in drug discovery
10.1080/17460441.2021.1910673 · 2021 · External reference
Artificial intelligence in drug discovery and development
10.1007/978-3-031-35529-5_92 · 2024 · External reference
Efficacy and safety of baricitinib for the treatment of hospitalised adults with COVID-19 (COV-BARRIER): a randomised, double-blind, parallel-group, placebo-controlled phase 3 trial
10.1016/s2213-2600(21)00331-3 · 2021 · External reference
Drug repositioning based on weighted local information augmented graph neural network
10.1093/bib/bbad431 · 2024 · External reference
Model‐based drug development: a rational approach to efficiently accelerate drug development
10.1038/clpt.2013.54 · 2013 · External reference
Investigating data contamination in modern benchmarks for large language models
10.18653/v1/2024.naacl-long.482 · 2024 · External reference
A review of computational drug repurposing
10.12793/tcp.2019.27.2.59 · 2019 · External reference
Knowledge graphs for drug repurposing: a review of databases and methods
10.1093/bib/bbae461 · 2024 · External reference
Drug repurposing: progress, challenges and recommendations
10.1038/nrd.2018.168 · 2019 · External reference
Baricitinib as potential treatment for 2019-nCoV acute respiratory disease
10.1016/s0140-6736(20)30304-4 · 2020 · External reference
Target identification and mechanism of action in chemical biology and drug discovery
10.1038/nchembio.1199 · 2013 · External reference
Genetic drug target validation using Mendelian randomisation
10.1038/s41467-020-16969-0 · 2020 · External reference
Artificial intelligence and machine learning in pharmacological research: bridging the gap between data and drug discovery
10.7759/cureus.44359 · 2023 · External reference
Mechanism of baricitinib supports artificial intelligence‐predicted testing in COVID‐19 patients
10.15252/emmm.202012697 · 2020 · External reference
Challenges and opportunities with drug repurposing: finding strategies to find alternative uses of therapeutics
10.1080/17460441.2020.1704729 · 2020 · External reference
Indicator regularized non-negative matrix factorization method-based drug repurposing for COVID-19
10.3389/fimmu.2020.603615 · 2021 · External reference
Network pharmacology in the multi-omics era: uncovering novel therapeutic strategies
10.1007/s44371-026-00567-y · 2026 · External reference
Unresolved reference
2025 · External reference
Drug repurposing approaches: existing leads for novel threats and drug targets
10.2174/1389203721666200921152853 · 2021 · External reference
Applications of machine learning in drug discovery and development
10.1038/s41573-019-0024-5 · 2019 · External reference
Investigating overlap in signals from EVDAS, FAERS, and VigiBase®
10.1007/s40264-019-00899-y · 2020 · External reference
Applications of artificial intelligence in drug repurposing
10.1002/advs.202411325 · 2025 · External reference
A biocompatible tea polyphenol nanoplatform for efficient cytosolic delivery of protein therapeutics
10.1016/j.jconrel.2025.114347 · 2025 · External reference
Unresolved reference
2026 · External reference
10.18653/v1/2024.findings-acl.372
10.18653/v1/2024.findings-acl.372 · 2024 · External reference
Leveraging generative AI to prioritize drug repurposing candidates for Alzheimer’s disease with real-world clinical validation
10.1038/s41746-024-01038-3 · 2024 · External reference
Predicting drug-target interactions based on multivariate information fusion and graph contrast learning
10.1016/j.jbi.2025.104960 · 2025 · External reference
deepDR: a network-based deep learning approach to in silico drug repositioning
10.1093/bioinformatics/btz418 · 2019 · External reference
Computational toxicology in drug discovery: applications of artificial intelligence in ADMET and toxicity prediction
10.1093/bib/bbaf533 · 2025 · External reference
Progresses and challenges in link prediction
10.1016/j.isci.2021.103217 · 2021 · External reference
Applications of artificial intelligence in drug repurposing
10.1002/advs.202411325 · ExternalCitation · doi-reference
In silico methods for drug repurposing and pharmacology
10.1002/wsbm.1337 · ExternalCitation · doi-reference
Artificial intelligence in drug discovery and development
10.1007/978-3-031-35529-5_92 · ExternalCitation · doi-reference
Computer-aided diagnosis systems: a comparative study of classical machine learning versus deep learning-based approaches
10.1007/s10115-023-01894-7 · ExternalCitation · doi-reference
Investigating overlap in signals from EVDAS, FAERS, and VigiBase®
10.1007/s40264-019-00899-y · ExternalCitation · doi-reference
The REporting of A disproportionality analysis for DrUg safety signal detection using individual case safety reports in PharmacoVigilance (READUS-PV): explanation and elaboration
10.1007/s40264-024-01423-7 · ExternalCitation · doi-reference
Network pharmacology in the multi-omics era: uncovering novel therapeutic strategies
10.1007/s44371-026-00567-y · ExternalCitation · doi-reference
Peptide-based system for sensing Pb2+ and molecular logic computing
10.1016/j.ab.2021.114333 · ExternalCitation · doi-reference
Progresses and challenges in link prediction
10.1016/j.isci.2021.103217 · ExternalCitation · doi-reference
Predicting drug-target interactions based on multivariate information fusion and graph contrast learning
10.1016/j.jbi.2025.104960 · ExternalCitation · doi-reference
A biocompatible tea polyphenol nanoplatform for efficient cytosolic delivery of protein therapeutics
10.1016/j.jconrel.2025.114347 · ExternalCitation · doi-reference
Using artificial intelligence to identify drugs for repurposing to treat l-DOPA-induced dyskinesia
10.1016/j.neuropharm.2024.109880 · ExternalCitation · doi-reference
An improved anticancer drug-response prediction based on an ensemble method integrating matrix completion and ridge regression
10.1016/j.omtn.2020.07.003 · ExternalCitation · doi-reference
Baricitinib as potential treatment for 2019-nCoV acute respiratory disease
10.1016/s0140-6736(20)30304-4 · ExternalCitation · doi-reference
Efficacy and safety of baricitinib for the treatment of hospitalised adults with COVID-19 (COV-BARRIER): a randomised, double-blind, parallel-group, placebo-controlled phase 3 trial
10.1016/s2213-2600(21)00331-3 · ExternalCitation · doi-reference
Polypharmacology: challenges and opportunities in drug discovery: miniperspective
10.1021/jm5006463 · ExternalCitation · doi-reference
Model‐based drug development: a rational approach to efficiently accelerate drug development
10.1038/clpt.2013.54 · ExternalCitation · doi-reference
Target identification and mechanism of action in chemical biology and drug discovery
10.1038/nchembio.1199 · ExternalCitation · doi-reference
Network-based in silico drug efficacy screening
10.1038/ncomms10331 · ExternalCitation · doi-reference
Drug repurposing: progress, challenges and recommendations
10.1038/nrd.2018.168 · ExternalCitation · doi-reference
Network-based approach to prediction and population-based validation of in silico drug repurposing
10.1038/s41467-018-05116-5 · ExternalCitation · doi-reference
Genetic drug target validation using Mendelian randomisation
10.1038/s41467-020-16969-0 · ExternalCitation · doi-reference
Applications of machine learning in drug discovery and development
10.1038/s41573-019-0024-5 · ExternalCitation · doi-reference
Detecting hallucinations in large language models using semantic entropy
10.1038/s41586-024-07421-0 · ExternalCitation · doi-reference
A foundation model for clinician-centered drug repurposing
10.1038/s41591-024-03233-x · ExternalCitation · doi-reference
Explainable drug repurposing via path based knowledge graph completion
10.1038/s41598-024-67163-x · ExternalCitation · doi-reference
Leveraging generative AI to prioritize drug repurposing candidates for Alzheimer’s disease with real-world clinical validation
10.1038/s41746-024-01038-3 · ExternalCitation · doi-reference
A deep learning framework for drug repurposing via emulating clinical trials on real-world patient data
10.1038/s42256-020-00276-w · ExternalCitation · doi-reference
Baricitinib plus remdesivir for hospitalized adults with Covid-19
10.1056/nejmoa2031994 · ExternalCitation · doi-reference
Systematic functional regulatory assessment of disease-associated variants
10.1073/pnas.1219099110 · ExternalCitation · doi-reference
Challenges and opportunities with drug repurposing: finding strategies to find alternative uses of therapeutics
10.1080/17460441.2020.1704729 · ExternalCitation · doi-reference
Knowledge graphs and their applications in drug discovery
10.1080/17460441.2021.1910673 · ExternalCitation · doi-reference
Pharmacovigilance analysis of FcRn antagonists in the treatment of myasthenia gravis: a disproportionality analysis based on the FAERS database
10.1080/21645515.2025.2586335 · ExternalCitation · doi-reference
Using big data to emulate a target trial when a randomized trial is not available
10.1093/aje/kwv254 · ExternalCitation · doi-reference
Drug repositioning based on weighted local information augmented graph neural network
10.1093/bib/bbad431 · ExternalCitation · doi-reference
Knowledge graphs for drug repurposing: a review of databases and methods
10.1093/bib/bbae461 · ExternalCitation · doi-reference
Computational toxicology in drug discovery: applications of artificial intelligence in ADMET and toxicity prediction
10.1093/bib/bbaf533 · ExternalCitation · doi-reference
Computational/in silico methods in drug target and lead prediction
10.1093/bib/bbz103 · ExternalCitation · doi-reference
deepDR: a network-based deep learning approach to in silico drug repositioning
10.1093/bioinformatics/btz418 · ExternalCitation · doi-reference
KGML-xDTD: a knowledge graph–based machine learning framework for drug treatment prediction and mechanism description
10.1093/gigascience/giad057 · ExternalCitation · doi-reference
10.1101/2025.02.28.25323115
10.1101/2025.02.28.25323115 · ExternalCitation · doi-reference
Drugs and their molecular targets: an updated overview
10.1111/j.1472-8206.2007.00548.x · ExternalCitation · doi-reference
TRIPOD+ AI statement: updated guidance for reporting clinical prediction models that use regression or machine learning methods
10.1136/bmj-2023-078378 · ExternalCitation · doi-reference
A review of computational drug repurposing
10.12793/tcp.2019.27.2.59 · ExternalCitation · doi-reference
Mechanism of baricitinib supports artificial intelligence‐predicted testing in COVID‐19 patients
10.15252/emmm.202012697 · ExternalCitation · doi-reference
10.18653/v1/2024.findings-acl.372
10.18653/v1/2024.findings-acl.372 · ExternalCitation · doi-reference
10.18653/v1/2024.findings-emnlp.726
10.18653/v1/2024.findings-emnlp.726 · ExternalCitation · doi-reference
Investigating data contamination in modern benchmarks for large language models
10.18653/v1/2024.naacl-long.482 · ExternalCitation · doi-reference
Attention is not explanation
10.18653/v1/n19-1357 · ExternalCitation · doi-reference
Drug repurposing approaches: existing leads for novel threats and drug targets
10.2174/1389203721666200921152853 · ExternalCitation · doi-reference
A comprehensive review of multimodal deep learning for enhanced medical diagnostics
10.32604/cmc.2025.065571 · ExternalCitation · doi-reference
Recent advances in AI-based toxicity prediction for drug discovery
10.3389/fchem.2025.1632046 · ExternalCitation · doi-reference
Indicator regularized non-negative matrix factorization method-based drug repurposing for COVID-19
10.3389/fimmu.2020.603615 · ExternalCitation · doi-reference
Rehabilitation assistive technology transfer in the AI era: network dynamics and public health impacts in the yangtze river Delta, China
10.3389/fpubh.2026.1752396 · ExternalCitation · doi-reference
Ai-driven transcriptome prediction in human pathology: from molecular insights to clinical applications
10.3390/biology14060651 · ExternalCitation · doi-reference
Machine learning for multi-target drug discovery: challenges and opportunities in systems pharmacology
10.3390/pharmaceutics17091186 · ExternalCitation · doi-reference
Systematic integration of biomedical knowledge prioritizes drugs for repurposing
10.7554/elife.26726 · ExternalCitation · doi-reference
Artificial intelligence and machine learning in pharmacological research: bridging the gap between data and drug discovery
10.7759/cureus.44359 · ExternalCitation · doi-reference
