ArticleBMC bioinformatics2024
Drug-Online: an online platform for drug-target interaction, affinity, and binding sites identification using deep learning.
Article in BMC bioinformatics, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
What it found
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The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
5 citing papers in PubMed.
- [Prediction and verification of therapeutic drugs for triple-negative breast cancer using a knowledge graph-based drug repurposing model].Nan fang yi ke da xue xue bao = Journal of Southern Medical University · 2026Article
- From Algorithms to Assets: A Comprehensive Review of AI's Role in Preclinical Drug Discovery and the Hurdles to Clinical Translation.Pharmaceuticals (Basel, Switzerland) · 2026Review
- Predicting drug-target interactions and binding affinity using an optimized deep learning approach.Journal of computer-aided molecular design · 2026Article
- Real-time visualization of drug-target interactions in native subcellular microenvironments for lysosome-targeted drug discovery.Journal of pharmaceutical analysis · 2026Article
- Predicting drug-target affinity through triple pre-activated random residual planet convolution coupled attention network and contact maps.Journal of computer-aided molecular design · 2025Article
Corrections and comments
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Authors and funding
6 authors.
Funding
Abstract
backgroundAccurately identifying drug-target interaction (DTI), affinity (DTA), and binding sites (DTS) is crucial for drug screening, repositioning, and design, as well as for understanding the functions of target. Although there are a few online platforms based on deep learning for drug-target interaction, affinity, and binding sites identification, there is currently no integrated online platforms for all three aspects.
resultsOur solution, the novel integrated online platform Drug-Online, has been developed to facilitate drug screening, target identification, and understanding the functions of target in a progressive manner of "interaction-affinity-binding sites". Drug-Online platform consists of three parts: the first part uses the drug-target interaction identification method MGraphDTA, based on graph neural networks (GNN) and convolutional neural networks (CNN), to identify whether there is a drug-target interaction. If an interaction is identified, the second part employs the drug-target affinity identification method MMDTA, also based on GNN and CNN, to calculate the strength of drug-target interaction, i.e., affinity. Finally, the third part identifies drug-target binding sites, i.e., pockets. The method pt-lm-gnn used in this part is also based on GNN.
conclusionsDrug-Online is a reliable online platform that integrates drug-target interaction, affinity, and binding sites identification. It is freely available via the Internet at http://39.106.7.26:8000/Drug-Online/ .
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.