DrugRepoBank: A comprehensive database and discovery platform for accelerating drug repositioning

Y Huang, D Dong, W Zhang, R Wang, YCD Lin… - Database, 2024 - academic.oup.com
In recent years, drug repositioning has emerged as a promising alternative to the time-
consuming, expensive and risky process of develo** new drugs for diseases. However …

Advances in Protein-Ligand Binding Affinity Prediction via Deep Learning: A Comprehensive Study of Datasets, Data Preprocessing Techniques, and Model …

GA Abdelkader, JD Kim - Current drug targets, 2024 - benthamdirect.com
Background Drug discovery is a complex and expensive procedure involving several timely
and costly phases through which new potential pharmaceutical compounds must pass to get …

Neuromorphic computing for modeling neurological and psychiatric disorders: Implications for drug development

AS Raikar, J Andrew, PP Dessai, SM Prabhu… - Artificial Intelligence …, 2024 - Springer
The emergence of neuromorphic computing, inspired by the structure and function of the
human brain, presents a transformative framework for modelling neurological disorders in …

Protein language models for predicting drug–target interactions: Novel approaches, emerging methods, and future directions

A Ünlü, E Ulusoy, MG Yiğit, M Darcan… - Current Opinion in …, 2025 - Elsevier
Highlights•Protein language models (pLMs) have advanced ML-based drug-target
interaction (DTI) prediction in several aspects.•Pre-trained pLM-based DTI prediction models …

An end-to-end method for predicting compound-protein interactions based on simplified homogeneous graph convolutional network and pre-trained language model

Y Zhang, J Li, S Lin, J Zhao, Y **ong… - Journal of Cheminformatics, 2024 - Springer
Identification of interactions between chemical compounds and proteins is crucial for various
applications, including drug discovery, target identification, network pharmacology, and …

Caps-ac4C: an effective computational framework for identifying N4-acetylcytidine sites in human mRNA based on deep learning

L Yao, P **e, D Dong, Y Guo, J Guan, W Zhang… - Journal of Molecular …, 2025 - Elsevier
Abstract N4-acetylcytidine (ac4C) is a crucial post-transcriptional modification in human
mRNA, involving the acetylation of the nitrogen atom at the fourth position of cytidine. This …

CapsEnhancer: an effective computational framework for identifying enhancers based on chaos game representation and capsule network

L Yao, P **e, J Guan, CR Chung, Y Huang… - Journal of Chemical …, 2024 - ACS Publications
Enhancers are a class of noncoding DNA, serving as crucial regulatory elements in
governing gene expression by binding to transcription factors. The identification of …

Hybrid approach for drug-target interaction predictions in ischemic stroke models

JJ Peng, YY Zhang, RF Li, WJ Zhu, HR Liu… - Artificial Intelligence in …, 2025 - Elsevier
Multiple cell death mechanisms are triggered during ischemic stroke and they are
interconnected in a complex network with extensive crosstalk, complicating the development …

[HTML][HTML] NFSA-DTI: A Novel Drug–Target Interaction Prediction Model Using Neural Fingerprint and Self-Attention Mechanism

F Liu, H Xu, P Cui, S Li, H Wang, Z Wu - International Journal of …, 2024 - mdpi.com
Existing deep learning methods have shown outstanding performance in predicting drug–
target interactions. However, they still have limitations:(1) the over-reliance on locally …

DeepDrugmiR: a two-stage deep learning method for inferring small molecules' regulatory effects on microRNA expression

Y Huang, H Wu, Y Cai, D Dong, S Yu, Y Chen… - Proceedings of the 15th …, 2024 - dl.acm.org
MicroRNAs (miRNAs), vital regulators of gene expression and human health, are intimately
associated with diseases upon dysregulation. Small molecules have emerged as promising …