{"doi":"10.1016/j.jmgm.2018.08.005","title":"Computational drug repurposing to predict approved and novel drug-disease associations","abstract":null,"journal":"Journal of Molecular Graphics and Modelling","year":2018,"id":598088,"datarank":0.41588830833596724,"base_score":2.772588722239781,"endowment":2.772588722239781,"self_citation_contribution":0.41588830833596724,"citation_network_contribution":0.0,"self_endowment_contribution":0.41588830833596724,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":15,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":1532392,"name":"Osman Ugur Sezerman","orcid":null,"position":1,"is_corresponding":false},{"id":1532391,"name":"Zoya Khalid","orcid":null,"position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"resolved":true,"title":"Computational drug repurposing to predict approved and novel drug-disease associations","abstract":"The Drug often binds to more than one targets defined as polypharmacology, one application of which is drug repurposing also referred as drug repositioning or therapeutic switching. The traditional drug discovery and development is a high-priced and tedious process, thus making drug repurposing a popular alternate strategy. We proposed an integrative method based on similarity scheme that predicts approved and novel Drug targets with new disease associations. We combined PPI, biological pathways, binding site structural similarities and disease-disease similarity measures. The results showed 94% Accuracy with 0.93 Recall and 0.94 Precision measure in predicting the approved and novel targets surpassing the existing methods. All these parameters help in elucidating the unknown associations between drug and diseases for finding the new uses for old drugs.","is_dataset_classified":null,"base_score":2.772588722239781,"endowment":2.772588722239781,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"30130693","pmcid":null,"openalex_id":"https://openalex.org/W2886266969","authors":[],"funders":[],"total_grants":0,"fwci":1.5175,"citation_percentile":0.84758556,"influential_citations":0,"citation_trend":[{"year":2020,"count":5},{"year":2021,"count":3},{"year":2022,"count":1},{"year":2023,"count":2},{"year":2024,"count":1},{"year":2025,"count":3}],"oa_status":"closed","license":"https://www.elsevier.com/legal/tdmrep-license","oa_locations":[{"url":"https://api.elsevier.com/content/article/PII:S1093326318303723?httpAccept=text/xml","host_type":"publisher"},{"url":"https://api.elsevier.com/content/article/PII:S1093326318303723?httpAccept=text/plain","host_type":"publisher"},{"url":"https://doi.org/10.1016/j.jmgm.2018.08.005","host_type":"journal"},{"url":"https://pubmed.ncbi.nlm.nih.gov/30130693","host_type":"repository"},{"url":"https://research.sabanciuniv.edu/id/eprint/45849/","host_type":"repository"}],"fields_of_study":["Computational Drug Discovery Methods","Bioinformatics and Genomic Networks","Pharmacogenetics and Drug Metabolism","Algorithms","Binding Sites","Drug Discovery","Drug Repositioning","Humans","Models, Molecular","Protein Binding","Quantitative Structure-Activity Relationship","ROC Curve","Reproducibility of Results"],"mesh_terms":["Algorithms","Binding Sites","Humans","Models, Molecular","Protein Binding","ROC Curve","Reproducibility of Results","Quantitative Structure-Activity Relationship","Drug Discovery","Drug Repositioning"],"keywords":["Drug repositioning","Drug","Repurposing","Drug development","Approved drug","Drug discovery","Similarity (geometry)","Disease","Computational biology","Medicine","Computer science","Pharmacology","Bioinformatics","Artificial intelligence","Biology","Internal medicine","Drug Promiscuity","Drug Repurposing","Common Pathways","Similarity Measures","Binding Site Similarity","Multiple Data Sources","Integrative Method"],"sdg_mappings":[{"sdg_number":0,"sdg_label":"Good health and well-being"}],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-07-28T15:01:18.377020Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}