Drug Vocabulary

DrugBank is the intelligence operating system (OS) built for drug discovery and development. Our mission is to ensure biomedical data and commercial insight is connected and used to its fullest potential, empowering biopharma to bring life-changing therapies to patients faster. Using both AI and expert curation, we’ve crafted the most trusted, comprehensive drug knowledgebase to draw fast, defensible, and contextualized insights. We offer AI and machine learning-ready datasets for download that are packaged to serve your unique needs.

This dataset includes normalized mappings between DrugBank identifiers, names, synonyms, and chemical structure identifiers. This includes the primary DrugBank accession number (often integrated into EMRs and drug biomedical databases such as PubChem), and a unique chemical structure identifier (InChI Key) that enables mapping to internal drug databases. Additionally, it includes curated names/synonyms for drugs, a useful entry point to normalizing the different names that can be used for a drug, depending on context. The data is internally curated at DrugBank (for IDs, names, and synonyms), and is also automatically generated by internal tools (for chemical structure identifiers).

This database can be used for normalizing your existing data, crosswalks between different resources, and validating your existing data for quality and completeness. DrugBank identifiers are integrated into thousands of resources (including resources from the FDA, NIH, and EBI) and are a common way of referring to a drug. By linking into this dataset, you can efficiently utilize the wider ecosystem of drug and drug protein information.

Tables include:

- The main list of drug entries
- Names/synonyms linked to drug entries
- Secondary DrugBank identifiers linked to drug entries

Fields include:

- Primary DrugBank ID
- Common drug name
- Standard InChI Key
- Drug names/synonyms

搜集汇总

背景与挑战

背景概述

该数据集提供DrugBank标准化的药物标识符映射，包含主ID、常用名称、InChI Key化学标识符及同义词列表，支持药物数据标准化和跨数据库关联。适用于生物医药领域的数据整合、验证及与FDA/NIH等资源的对接。