Graph Attention Networks for Drug Combination Discovery: Targeting Pancreatic Cancer Genes with RAIN Protocol

E Parichehreh, AA Kiaei, M Boush, D Safaei… - medRxiv, 2024 - medrxiv.org
Background: Malignant neoplasm of the pancreas (MNP), a highly lethal illness with bleak
outlook and few therapeutic avenues, entails numerous cellular transformations. These …

Emerging Drug Combinations for Targeting Tongue Neoplasms Associated Proteins/Genes: Employing Graph Neural Networks within the RAIN Protocol

M Askari, AA Kiaei, M Boush, F Aghaei - bioRxiv, 2024 - biorxiv.org
Background: Tongue Neoplasms is a common form of malignancy, with squamous cell
carcinoma of the tongue being the most frequently diagnosed type due to regular …

Trending Drugs Combination to Target Leukemia associated Proteins/Genes: using Graph Neural Networks under the RAIN Protocol

MM Boush, AA Kiaei, H Mahboubi - medRxiv, 2023 - medrxiv.org
Background: Leukemia, a cancer impacting blood-forming tissues such as bone marrow and
the lymphatic system, presents in various forms, affecting children and adults differently. The …

Interpreting the mechanism of synergism for drug combinations using attention-based hierarchical graph pooling

Z Dong, H Zhang, Y Chen, PRO Payne, F Li - Cancers, 2023 - mdpi.com
Simple Summary This paper introduces a novel graph neural network (a hierarchical graph
pooling model), SANEpool, to effectively detect core sub-networks of significant genes for …

Mining signaling flow to interpret mechanisms of synergy of drug combinations using deep graph neural networks

H Zhang, Y Chen, P Payne, F Li - bioRxiv, 2021 - biorxiv.org
Complex signaling pathways/networks are believed to be responsible for drug resistance in
cancer therapy. Drug combinations inhibiting multiple signaling targets within cancer-related …

NPDI-BcCov: A Network Pharmacology Approach for Simultaneous Inference of Drugs Targeting Breast Cancer and COVID-19

Z Huang, J Xue, X Zhao, X Qiu, C Zhang, J Yang… - 2023 - researchsquare.com
Abstract The coronavirus disease (COVID-19) has emerged as a significant threat to public
health, especially for individuals battling cancer. It is crucial to prioritize the care and …

Mdagcn: Predicting Mutation-Drug Associations Through Signed Graph Convolutional Networks Via Graph Sampling

X Wang, Y Xiang, T Xu, Z Yue - Available at SSRN 4784649 - papers.ssrn.com
The surge in accessible high-throughput molecular data presents computational challenges
for the precision medicine in cancer. Genetic mutations have the potential to act as reliable …

DeepDDS: deep graph neural network with attention mechanism to predict synergistic drug combinations

J Wang, X Liu, S Shen, L Deng… - Briefings in …, 2022 - academic.oup.com
Motivation Drug combination therapy has become an increasingly promising method in the
treatment of cancer. However, the number of possible drug combinations is so huge that it is …

CandidateDrug4Cancer: An open molecular graph learning benchmark on drug discovery for cancer

X Ye, Z Li, F Ma, Z Yi, P Li, J Wang, P Gao… - arXiv preprint arXiv …, 2022 - arxiv.org
Anti-cancer drug discoveries have been serendipitous, we sought to present the Open
Molecular Graph Learning Benchmark, named CandidateDrug4Cancer, a challenging and …

DeepCDR: a hybrid graph convolutional network for predicting cancer drug response

Q Liu, Z Hu, R Jiang, M Zhou - Bioinformatics, 2020 - academic.oup.com
Motivation Accurate prediction of cancer drug response (CDR) is challenging due to the
uncertainty of drug efficacy and heterogeneity of cancer patients. Strong evidences have …