Deep learning identifies explainable reasoning paths of mechanism of action for drug repurposing from multilayer biological network

J Yang, Z Li, WKK Wu, S Yu, Z Xu, Q Chu… - Briefings in …, 2022 - academic.oup.com
The discovery and repurposing of drugs require a deep understanding of the mechanism of
drug action (MODA). Existing computational methods mainly model MODA with the protein …

A machine learning and network framework to discover new indications for small molecules

C Gilvary, J Elkhader, N Madhukar… - PLoS computational …, 2020 - journals.plos.org
Drug repurposing, identifying novel indications for drugs, bypasses common drug
development pitfalls to ultimately deliver therapies to patients faster. However, most …

Toward heterogeneous information fusion: bipartite graph convolutional networks for in silico drug repurposing

Z Wang, M Zhou, C Arnold - Bioinformatics, 2020 - academic.oup.com
Motivation Mining drug–disease association and related interactions are essential for
developing in silico drug repurposing (DR) methods and understanding underlying …

KGML-xDTD: a knowledge graph–based machine learning framework for drug treatment prediction and mechanism description

C Ma, Z Zhou, H Liu, D Koslicki - GigaScience, 2023 - academic.oup.com
Background Computational drug repurposing is a cost-and time-efficient approach that aims
to identify new therapeutic targets or diseases (indications) of existing drugs/compounds. It …

Deep learning applications for predicting pharmacological properties of drugs and drug repurposing using transcriptomic data

A Aliper, S Plis, A Artemov, A Ulloa… - Molecular …, 2016 - ACS Publications
Deep learning is rapidly advancing many areas of science and technology with multiple
success stories in image, text, voice and video recognition, robotics, and autonomous …

GCMM: graph convolution network based on multimodal attention mechanism for drug repurposing

F Zhang, W Hu, Y Liu - BMC bioinformatics, 2022 - Springer
Background The main focus of in silico drug repurposing, which is a promising area for
using artificial intelligence in drug discovery, is the prediction of drug–disease relationships …

deepDR: a network-based deep learning approach to in silico drug repositioning

X Zeng, S Zhu, X Liu, Y Zhou, R Nussinov… - …, 2019 - academic.oup.com
Motivation Traditional drug discovery and development are often time-consuming and high
risk. Repurposing/repositioning of approved drugs offers a relatively low-cost and high …

[HTML][HTML] AI-DrugNet: A network-based deep learning model for drug repurposing and combination therapy in neurological disorders

X Pan, J Yun, ZHC Akdemir, X Jiang, E Wu… - Computational and …, 2023 - Elsevier
Discovering effective therapies is difficult for neurological and developmental disorders in
that disease progression is often associated with a complex and interactive mechanism …

A novel computational approach for drug repurposing using systems biology

A Peyvandipour, N Saberian, A Shafi, M Donato… - …, 2018 - academic.oup.com
Motivation Identification of novel therapeutic effects for existing US Food and Drug
Administration (FDA)-approved drugs, drug repurposing, is an approach aimed to …

Breaking the paradigm: Dr Insight empowers signature-free, enhanced drug repurposing

J Chan, X Wang, JA Turner, NE Baldwin, J Gu - Bioinformatics, 2019 - academic.oup.com
Motivation Transcriptome-based computational drug repurposing has attracted considerable
interest by bringing about faster and more cost-effective drug discovery. Nevertheless, key …