DrugBank: a comprehensive resource for in silico drug discovery and exploration
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A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.
Abstract
DrugBank is a unique bioinformatics/cheminformatics resource that combines detailed drug (i.e. chemical) data with comprehensive drug target (i.e. protein) information. The database contains >4100 drug entries including >800 FDA approved small molecule and biotech drugs as well as >3200 experimental drugs. Additionally, >14,000 protein or drug target sequences are linked to these drug entries. Each DrugCard entry contains >80 data fields with half of the information being devoted to drug/chemical data and the other half devoted to drug target or protein data. Many data fields are hyperlinked to other databases (KEGG, PubChem, ChEBI, PDB, Swiss-Prot and GenBank) and a variety of structure viewing applets. The database is fully searchable supporting extensive text, sequence, chemical structure and relational query searches. Potential applications of DrugBank include in silico drug target discovery, drug design, drug docking or screening, drug metabolism prediction, drug interaction prediction and general pharmaceutical education. DrugBank is available at http://redpoll.pharmacy.ualberta.ca/drugbank/.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
The record
- Venue
- Nucleic Acids Research
- Topic
- Computational Drug Discovery Methods
- Field
- Computer Science
- Canadian institutions
- University of Alberta
- Funders
- —
- Keywords
- DrugBankPubChemCheminformaticsIn silicochEMBLProtein Data BankDrug discoveryBioinformaticsDrugComputational biologyBiologyComputer scienceDatabasePharmacologyProtein structureGenetics
- Has abstract in OpenAlex
- yes