{"doi":"10.1093/nar/gkx1037","title":"DrugBank 5.0: a major update to the DrugBank database for 2018","abstract":"DrugBank (www.drugbank.ca) is a web-enabled database containing comprehensive molecular information about drugs, their mechanisms, their interactions and their targets. First described in 2006, DrugBank has continued to evolve over the past 12 years in response to marked improvements to web standards and changing needs for drug research and development. This year's update, DrugBank 5.0, represents the most significant upgrade to the database in more than 10 years. In many cases, existing data content has grown by 100% or more over the last update. For instance, the total number of investigational drugs in the database has grown by almost 300%, the number of drug-drug interactions has grown by nearly 600% and the number of SNP-associated drug effects has grown more than 3000%. Significant improvements have been made to the quantity, quality and consistency of drug indications, drug binding data as well as drug-drug and drug-food interactions. A great deal of brand new data have also been added to DrugBank 5.0. This includes information on the influence of hundreds of drugs on metabolite levels (pharmacometabolomics), gene expression levels (pharmacotranscriptomics) and protein expression levels (pharmacoprotoemics). New data have also been added on the status of hundreds of new drug clinical trials and existing drug repurposing trials. Many other important improvements in the content, interface and performance of the DrugBank website have been made and these should greatly enhance its ease of use, utility and potential applications in many areas of pharmacological research, pharmaceutical science and drug education.","journal":"Nucleic Acids Research","year":2017,"id":8622,"datarank":14.5661538552936,"base_score":9.044875932248651,"endowment":9.044875932248651,"self_citation_contribution":1.356731389837298,"citation_network_contribution":13.209422465456301,"self_endowment_contribution":1.356731389837298,"citer_contribution":13.209422465456301,"corpus_percentile":86.41171684296175,"corpus_rank":168,"citation_count":8733,"citer_count":196,"citers_with_citation_signal":196,"citers_with_endowment":196,"datacite_reuse_total":25,"is_dataset":true,"is_dataset_confidence":0.9532,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2017-11-08","fair_score":60.2083,"fair_percentile":92.52418645558487,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":74732,"name":"Yannick D Feunang","orcid":null,"position":1,"is_corresponding":false},{"id":74733,"name":"An C Guo","orcid":null,"position":2,"is_corresponding":false},{"id":74734,"name":"Elvis J Lo","orcid":null,"position":3,"is_corresponding":false},{"id":74735,"name":"Ana Marcu","orcid":"0000-0003-0808-8097","position":4,"is_corresponding":false},{"id":74736,"name":"Jason R. Grant","orcid":"0000-0002-1197-1131","position":5,"is_corresponding":false},{"id":74737,"name":"Tanvir Sajed","orcid":"0009-0002-6692-4161","position":6,"is_corresponding":false},{"id":74738,"name":"Daniel Johnson","orcid":"0000-0002-0311-2513","position":7,"is_corresponding":false},{"id":74739,"name":"Carin Li","orcid":"0000-0001-9128-5029","position":8,"is_corresponding":false},{"id":51865,"name":"Zinat Sayeeda","orcid":null,"position":9,"is_corresponding":false},{"id":74740,"name":"Nazanin Assempour","orcid":null,"position":10,"is_corresponding":false},{"id":74741,"name":"Ithayavani Iynkkaran","orcid":null,"position":11,"is_corresponding":false},{"id":74742,"name":"Yifeng Liu","orcid":"0009-0009-0097-9873","position":12,"is_corresponding":false},{"id":74743,"name":"Adam Maciejewski","orcid":"0000-0002-4098-5233","position":13,"is_corresponding":false},{"id":74744,"name":"Nicola Gale","orcid":"0000-0001-5295-8841","position":14,"is_corresponding":false},{"id":74745,"name":"Alex Wilson","orcid":null,"position":15,"is_corresponding":false},{"id":74746,"name":"Lucy Chin","orcid":null,"position":16,"is_corresponding":false},{"id":59489,"name":"Ryan Cummings","orcid":"0000-0001-8121-530X","position":17,"is_corresponding":false},{"id":74747,"name":"Diana Le","orcid":null,"position":18,"is_corresponding":false},{"id":74748,"name":"Allison Pon","orcid":null,"position":19,"is_corresponding":false},{"id":74749,"name":"Craig Knox","orcid":null,"position":20,"is_corresponding":false},{"id":60824,"name":"Michael Wilson","orcid":"0000-0001-5892-6074","position":21,"is_corresponding":false},{"id":74750,"name":"Yannick Djoumbou-Feunang","orcid":"0000-0001-7850-184X","position":22,"is_corresponding":false},{"id":74751,"name":"An Chi Guo","orcid":"0009-0003-7256-1317","position":23,"is_corresponding":false},{"id":74752,"name":"Elvis Lo","orcid":null,"position":24,"is_corresponding":false},{"id":74753,"name":"Daniel L. Johnson","orcid":"0000-0003-1600-6768","position":25,"is_corresponding":false},{"id":74754,"name":"Alexander E. Wilson","orcid":"0000-0002-8666-3029","position":26,"is_corresponding":false},{"id":51859,"name":"David S. Wishart","orcid":"0000-0002-3207-2434","position":0,"is_corresponding":true}],"reference_count":22,"raw_metadata":{"citation_network_status":"fetched"},"created_at":"2026-03-01T18:20:47.508186Z","pmid":"29126136","pmcid":"PMC5753335","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":65.0,"fair_a":67.5,"fair_i":75.0,"fair_r":33.3333,"fair_zscore":1.3566,"fair_rationale":{"fair_score":60.21,"has_llm":true,"dimensions":{"F":{"name":"Findable","score":65.0,"criteria":[{"key":"f_has_doi","label":"Has a persistent DOI","kind":"deterministic","weight":1.0,"fraction":1.0,"signal":"DOI present","rationale":null},{"key":"f_repository_presence","label":"Indexed in repositories / literature DBs","kind":"deterministic","weight":1.0,"fraction":1.0,"signal":"datacite=25, pmcid=True, pmid=True","rationale":null},{"key":"f_persistent_ids","label":"Resolvable scholarly identifiers (OpenAlex)","kind":"deterministic","weight":0.5,"fraction":0.0,"signal":"no OpenAlex id","rationale":null},{"key":"f_metadata_richness","label":"Rich, machine-readable metadata","kind":"llm","weight":1.0,"fraction":0.5,"signal":null,"rationale":"The paper describes drug data as rich and primary-sourced but does not discuss machine-readable metadata such as JSON-LD, schema.org, or structured metadata for automated discovery."}]},"A":{"name":"Accessible","score":67.5,"criteria":[{"key":"a_open_access","label":"Open Access / files deposited","kind":"deterministic","weight":1.5,"fraction":1.0,"signal":"Open Access","rationale":null},{"key":"a_retrievable","label":"Free full text retrievable","kind":"deterministic","weight":1.0,"fraction":0.0,"signal":"0 OA location(s)","rationale":null},{"key":"a_access_protocol","label":"Clear data/code access protocol","kind":"llm","weight":1.0,"fraction":0.75,"signal":null,"rationale":"DrugBank is web-accessible, and the paper states that data are downloadable for academics under a CC-BY-NC license, but no explicit protocol (API, SPARQL endpoint) or authentication mechanism is detailed beyond web access."}]},"I":{"name":"Interoperable","score":75.0,"criteria":[{"key":"i_linked_data","label":"Linked datasets / DataCite relations","kind":"deterministic","weight":1.0,"fraction":1.0,"signal":"linked_datasets=0, datacite=25","rationale":null},{"key":"i_standard_ids","label":"References data via standard accessions","kind":"deterministic","weight":1.0,"fraction":0.0,"signal":"accessions=0, trials=0","rationale":null},{"key":"i_standards","label":"Standard formats, vocabularies & identifiers","kind":"llm","weight":1.0,"fraction":1.0,"signal":null,"rationale":"The paper explicitly uses standard formats (SMILES, InChI, FASTA, mzML, nmrML, SPLASH keys, XML, JSON) and ontologies (ClassyFire, ChemOnt, WHO/ATC), achieving high interoperability."}]},"R":{"name":"Reusable","score":33.33,"criteria":[{"key":"r_license","label":"Clear, open reuse license","kind":"deterministic","weight":1.5,"fraction":0.0,"signal":"no license","rationale":null},{"key":"r_downloads","label":"Demonstrated reuse (downloads)","kind":"deterministic","weight":0.5,"fraction":0.0,"signal":"downloads=0","rationale":null},{"key":"r_version","label":"Versioned / maintained","kind":"deterministic","weight":0.5,"fraction":0.0,"signal":"no version chain","rationale":null},{"key":"r_dataset","label":"Classified as a data resource","kind":"deterministic","weight":0.5,"fraction":1.0,"signal":"is_dataset","rationale":null},{"key":"r_reusability","label":"Data-availability statement, license & reproducibility","kind":"llm","weight":2.0,"fraction":0.5,"signal":null,"rationale":"A data-availability statement is present (CC-BY-NC license for academics, CC0 for identifiers), but the paper lacks explicit instructions for reproducibility (e.g., exact data version, code for predictions) and the access for commercial use is restricted."}]}},"suggestions":["Include a machine-readable metadata section (e.g., schema.org annotations or JSON-LD) in the paper or resource site to improve findability by search engines.","Provide a clear, step-by-step data access protocol (e.g., API key registration, SPARQL endpoint) beyond just the website URL.","Release all data and prediction code under an open license (e.g., CC0 or MIT) to ensure full reusability for all users.","Add a reproducibility statement that specifies the exact version of DrugBank and the prediction tools (CFM-ID, BioTransformer) with version numbers.","Publish a formal data-availability statement in the paper that explicitly describes how to access the raw data and code for spectral predictions."],"model":"deepseek/deepseek-v4-flash","agent_version":"fair_agent_v2","fulltext_source":"epmc_xml"},"fair_model":"deepseek/deepseek-v4-flash","fair_agent_version":"fair_agent_v2","fair_fulltext_source":"epmc_xml","fair_has_llm":true,"fair_computed_at":"2026-06-18T00:26:15.950335Z","clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}