ArticlePloS one2013
Genome-scale screening of drug-target associations relevant to Ki using a chemogenomics approach.
Article in PloS one, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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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
19 citing papers in PubMed.
- Article
- Drug repurposing based on the DTD-GNN graph neural network: revealing the relationships among drugs, targets and diseases.BMC genomics · 2024Article
- Article
- In-silico target prediction by ensemble chemogenomic model based on multi-scale information of chemical structures and protein sequences.Journal of cheminformatics · 2023Article
- Development of a proteochemometric-based support vector machine model for predicting bioactive molecules of tubulin receptors.Molecular diversity · 2022Article
- Side effect prediction based on drug-induced gene expression profiles and random forest with iterative feature selection.The pharmacogenomics journal · 2021Article
- A unified drug-target interaction prediction framework based on knowledge graph and recommendation system.Nature communications · 2021Article
- Drug Discovery of Spinal Muscular Atrophy (SMA) from the Computational Perspective: A Comprehensive Review.International journal of molecular sciences · 2021Review
- Machine learning approaches and databases for prediction of drug-target interaction: a survey paper.Briefings in bioinformatics · 2021Review
- Current progress and future perspectives of polypharmacology : From the view of non-small cell lung cancer.Seminars in cancer biology · 2021Review
- Netpredictor: R and Shiny package to perform drug-target network analysis and prediction of missing links.BMC bioinformatics · 2018Article
- PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions.Journal of cheminformatics · 2018Article
- In silico methods for drug repurposing and pharmacology.Wiley interdisciplinary reviews. Systems biology and medicine · 2016Review
- TargetNet: a web service for predicting potential drug-target interaction profiling via multi-target SAR models.Journal of computer-aided molecular design · 2016Article
- BioTriangle: a web-accessible platform for generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.Journal of cheminformatics · 2016Article
- Predicting target-ligand interactions using protein ligand-binding site and ligand substructures.BMC systems biology · 2015Article
- Managing large-scale genomic datasets and translation into clinical practice.Yearbook of medical informatics · 2014Review
- VNP: Interactive Visual Network Pharmacology of Diseases, Targets, and Drugs.CPT: pharmacometrics & systems pharmacology · 2014Article
- Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets.Journal of cheminformatics · 2013Article
Corrections and comments
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Authors and funding
10 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The identification of interactions between drugs and target proteins plays a key role in genomic drug discovery. In the present study, the quantitative binding affinities of drug-target pairs are differentiated as a measurement to define whether a drug interacts with a protein or not, and then a chemogenomics framework using an unbiased set of general integrated features and random forest (RF) is employed to construct a predictive model which can accurately classify drug-target pairs. The predictability of the model is further investigated and validated by several independent validation sets. The built model is used to predict drug-target associations, some of which were confirmed by comparing experimental data from public biological resources. A drug-target interaction network with high confidence drug-target pairs was also reconstructed. This network provides further insight for the action of drugs and targets. Finally, a web-based server called PreDPI-Ki was developed to predict drug-target interactions for drug discovery. In addition to providing a high-confidence list of drug-target associations for subsequent experimental investigation guidance, these results also contribute to the understanding of drug-target interactions. We can also see that quantitative information of drug-target associations could greatly promote the development of more accurate models. The PreDPI-Ki server is freely available via: http://sdd.whu.edu.cn/dpiki.
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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.