AIMC Topic: Drug Repositioning
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Drug-target interaction prediction with collaborative contrastive learning and adaptive self-paced sampling strategy.
BMC biology
Sep 27, 2024
BACKGROUND: Drug-target interaction (DTI) prediction plays a pivotal role in drug discovery and drug repositioning, enabling the identification of potential drug candidates. However, most previous approaches often do not fully utilize the complementa...
Approved drugs successfully repurposed against based on machine learning predictions.
Frontiers in cellular and infection microbiology
Sep 26, 2024
Drug repurposing is a promising approach towards the discovery of novel treatments against Neglected Tropical Diseases, such as Leishmaniases, presenting the advantage of reducing both costs and duration of the drug discovery process. In previous wor...
FuseLinker: Leveraging LLM's pre-trained text embeddings and domain knowledge to enhance GNN-based link prediction on biomedical knowledge graphs.
Journal of biomedical informatics
Sep 24, 2024
OBJECTIVE: To develop the FuseLinker, a novel link prediction framework for biomedical knowledge graphs (BKGs), which fully exploits the graph's structural, textual and domain knowledge information. We evaluated the utility of FuseLinker in the graph...
A Machine Learning Algorithm Suggests Repurposing Opportunities for Targeting Selected GPCRs.
International journal of molecular sciences
Sep 23, 2024
Repurposing utilizes existing drugs with known safety profiles and discovers new uses by combining experimental and computational approaches. The integration of computational methods has greatly advanced drug repurposing, offering a rational approach...
An exploration into CTEPH medications: Combining natural language processing, embedding learning, in vitro models, and real-world evidence for drug repurposing.
PLoS computational biology
Sep 12, 2024
BACKGROUND: In the modern era, the growth of scientific literature presents a daunting challenge for researchers to keep informed of advancements across multiple disciplines.
Antivirals for monkeypox virus: Proposing an effective machine/deep learning framework.
PloS one
Sep 12, 2024
Monkeypox (MPXV) is one of the infectious viruses which caused morbidity and mortality problems in these years. Despite its danger to public health, there is no approved drug to stand and handle MPXV. On the other hand, drug repurposing is a promisin...
Unraveling druggable cancer-driving proteins and targeted drugs using artificial intelligence and multi-omics analyses.
Scientific reports
Aug 21, 2024
The druggable proteome refers to proteins that can bind to small molecules with appropriate chemical affinity, inducing a favorable clinical response. Predicting druggable proteins through screening and in silico modeling is imperative for drug desig...
Deep learning large-scale drug discovery and repurposing.
Nature computational science
Aug 21, 2024
Large-scale drug discovery and repurposing is challenging. Identifying the mechanism of action (MOA) is crucial, yet current approaches are costly and low-throughput. Here we present an approach for MOA identification by profiling changes in mitochon...
DeepDRA: Drug repurposing using multi-omics data integration with autoencoders.
PloS one
Jul 26, 2024
Cancer treatment has become one of the biggest challenges in the world today. Different treatments are used against cancer; drug-based treatments have shown better results. On the other hand, designing new drugs for cancer is costly and time-consumin...
In Silico drug repurposing pipeline using deep learning and structure based approaches in epilepsy.
Scientific reports
Jul 17, 2024
Due to considerable global prevalence and high recurrence rate, the pursuit of effective new medication for epilepsy treatment remains an urgent and significant challenge. Drug repurposing emerges as a cost-effective and efficient strategy to combat ...
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