Nucleic Acids Research · 2023 · 1.5K citations · 16 references
MedicinePharmacologyDrug DiscoveryDrug InformationDrug MetabolismDrug DatabasesDrug Information ResourcesDrug-drug Interaction InformaticsDrug-drug Interactions In MetabolismPathway AnnotationPathway DatabasesCompound - Target Interaction DatabasesDrug - Drug Interaction DatabasesDrug Data CurationDrug Interaction DatabasesDrug Interaction Knowledge BasesDrug Knowledge BasesDrug Metabolism DatabasesDrug-target Interaction Databases
DrugBank, first released in 2006, has become the gold‑standard resource for drug, target, and pharmaceutical data, attracting over 30 million views per year and serving diverse biomedical research and clinical applications. DrugBank 6.0 expands FDA‑approved drugs by 72 % to 4 563, investigational drugs by 38 % to 6 231, drug‑drug interactions by 300 % to 1 413 413, drug‑food interactions by 200 % to 2 475, and adds thousands of annotated pathways, enriched datasets, and extensive spectral data for 9 464 drugs, broadening its utility for chemists, metabolomics specialists, and pharmacologists.
First released in 2006, DrugBank (https://go.drugbank.com) has grown to become the 'gold standard' knowledge resource for drug, drug-target and related pharmaceutical information. DrugBank is widely used across many diverse biomedical research and clinical applications, and averages more than 30 million views/year. Since its last update in 2018, we have been actively enhancing the quantity and quality of the drug data in this knowledgebase. In this latest release (DrugBank 6.0), the number of FDA approved drugs has grown from 2646 to 4563 (a 72% increase), the number of investigational drugs has grown from 3394 to 6231 (a 38% increase), the number of drug-drug interactions increased from 365 984 to 1 413 413 (a 300% increase), and the number of drug-food interactions expanded from 1195 to 2475 (a 200% increase). In addition to this notable expansion in database size, we have added thousands of new, colorful, richly annotated pathways depicting drug mechanisms and drug metabolism. Likewise, existing datasets have been significantly improved and expanded, by adding more information on drug indications, drug-drug interactions, drug-food interactions and many other relevant data types for 11 891 drugs. We have also added experimental and predicted MS/MS spectra, 1D/2D-NMR spectra, CCS (collision cross section), RT (retention time) and RI (retention index) data for 9464 of DrugBank's 11 710 small molecule drugs. These and other improvements should make DrugBank 6.0 even more useful to a much wider research audience ranging from medicinal chemists to metabolomics specialists to pharmacologists.
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DrugBank 5.0: a major update to the DrugBank database for 2018
David S. Wishart, Yannick Djoumbou-Feunang, An Chi Guo et al. · Nucleic Acids Research · 2017 · 8.8K citations · Full text
HMDB 4.0: the human metabolome database for 2018
David S. Wishart, Yannick Djoumbou-Feunang, Ana Marcu et al. · Nucleic Acids Research · 2017 · 3.6K citations · Full text
HMDB 5.0: the Human Metabolome Database for 2022
David S. Wishart, AnChi Guo, Eponine Oler et al. · Nucleic Acids Research · 2021 · 2.4K citations · Full text
CFM-ID 4.0: More Accurate ESI-MS/MS Spectral Prediction and Compound Identification
Fei Wang, Jaanus Liigand, Siyang Tian et al. · Analytical Chemistry · 2021 · 396 citations · Full text