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DrugRepoBank: A comprehensive database and discovery platform for accelerating drug repositioning
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 …
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 …
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
The emergence of neuromorphic computing, inspired by the structure and function of the
human brain, presents a transformative framework for modelling neurological disorders in …
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
Highlights•Protein language models (pLMs) have advanced ML-based drug-target
interaction (DTI) prediction in several aspects.•Pre-trained pLM-based DTI prediction models …
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
Identification of interactions between chemical compounds and proteins is crucial for various
applications, including drug discovery, target identification, network pharmacology, and …
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
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 …
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
Enhancers are a class of noncoding DNA, serving as crucial regulatory elements in
governing gene expression by binding to transcription factors. The identification of …
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 …
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 …
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
MicroRNAs (miRNAs), vital regulators of gene expression and human health, are intimately
associated with diseases upon dysregulation. Small molecules have emerged as promising …
associated with diseases upon dysregulation. Small molecules have emerged as promising …