Biomedical Knowledge

The Biomedical Knowledge Data Package is a comprehensive resource designed for complex data exploration and analysis. It is **a unified resource for research, precision medicine, drug repurposing, and discovery**.

The package contains more than 500 Million built-in relationships made up of:

- Evidence-based information on all approved drugs (500,000+ drugs, drug products, and pre-approval drugs) with associated known chemical structures, indications, effects, drug-drug interactions, pharmacology, products, clinical trials, formulations and much more

- 20,000+ drug-target/enzyme associations

- 154,800+ clinical trials and mapped conditions

- Proprietary ontologies that map key biomedical concepts to widely used identifiers.

The data is meticulously organized, curated, and optimized for **traditional and machine-learning applications** to:

- **Prioritize diseases, targets, and opportunities** using prior research, trials, and treatments

- **Generate hypotheses** by exploring the connections between biomedical concepts.

- **Leverage DrugBank’s crosswalks** to enable new mappings that enhance your data pool.

- **Evaluate prior drug research** to identify gaps and prior failures to avoid dead-ends.

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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.

The following data modules are included in this package:

- **Adverse Effects**: Each structured adverse effect represents a known adverse effect of a given drug when used in a specific situation. Some adverse effects are specific to a particular route of administration or patients of a specific age group.

- **Blackbox Warnings**: Structured data representing warnings from the black box section of drug labels. Black box warnings may include specific criteria for when they apply and potential risks, contraindications, or adverse effects.

- **Categories**: Describes pharmacological and therapeutic categories for drugs. Includes ATC categories, a commonly used hierarchy of anatomical and pharmacological groups.

- **Contraindications**: Each contraindication describes a case in which the drug is contraindicated. Each field adds criteria to the contraindication, and if all of these are fulfilled, the contraindication applies. Structured contraindications are extracted from the contraindications section of drug product labels.

- **Clinical Trials**: Provides detailed information about clinical trials, including interventions, trial arms, location, sponsor, trial conditions, standardized trial termination reasons and more. Information is normalized and linked. Many relevant metadata descriptions are structured and ready for analysis.

- **Conditions**: Provides a complete hierarchy of terms describing diseases, symptoms, and other medical conditions.

- **Drug Protein Relationships and Drug Targets**: This module describes the relationship between drugs and targets, enzymes, carriers, or transporters. Annotation includes the pharmacological action and the type of interaction (antagonist, agonist, substrate, inhibitor, or inducer).

- **Drug Allergies**: Includes drug allergy clinical presentation information, severity levels for allergic reactions, and reaction management information. Also includes cross-sensitivities information with summary, description, potentially sensitive drugs, and incidence rates.

- **Drug Indications**: Describes the known uses of a drug, including prescription-only, off-label, and over-the-counter indications. Covers many types of indications, including the treatment, prevention, and management of conditions.

- **Drug Interactions**: Describes drugs that, when administered concomitantly with the drug of interest, will affect its activity or result in adverse effects. These interactions may be synergistic or antagonistic depending on each drug's physiological effects and mechanism of action. Each interaction description includes a summary description and detailed description of the mechanism of the interaction, as well as management information, a severity rating, and type of evidence.

- **Drugs**: Provides a comprehensive list of all approved and investigational drugs. Each drug includes detailed molecular descriptions and relevant nomenclature and identifiers. Includes coverage of small molecule drugs and biologics.

- **Metabolic Reactions**: Contains a sequential representation of the metabolic reactions that drugs are involved in. Depending on available information, this may include metabolizing enzymes, reaction type, substrates, products, pharmacological activity of metabolites, and a structural representation of the biochemical reactions.

- **Patents**: Covers US and Canadian patents for approved drugs. Includes patent ID, patent extensions, grant date, and expiry date (or estimated expiry date for future expiries).

- **Pathways**: Includes metabolic, disease, and biological pathways that drugs are involved in, as identified by the Small Molecule Pathway Database (SMPDB).

- **Pharmacogenomics**: A list of single nucleotide polymorphisms (SNPs) relevant to drug activity or metabolism and the effects these may have on pharmacological activity. SNP effects in the patient may require close monitoring, a dosage adjustment, or a change in therapy.

- **Products**: Describes the drug products available in different regions. Each product listing includes the brand or generic name, dosage, dose form, route of administration, codes, labeller, approval status, and marketing start and end date. For certain regions, product packages are also available.

- **Product Concepts**: Describes a distinct group of features common to one or more drug products. Product Concepts are organized in a hierarchy and enable the grouping of products in various ways, such as by ingredients, brand, and dosage route/strength.

- **Rare Diseases**: This module describes the status of drugs intended for use against rare diseases. The dataset offers a view of the orphan designations without being specifically tied to any one set of regulatory standards or rules.

- **References**: This module provides comprehensive citations substantiating the facts mentioned within DrugBank.

- **Structured Pharmacology:** Contains structured forms of our ADMET data, enabling machine readability and quick retrieval. Values include Clearance, Half-Life, Volume of Distribution, Bioavailability, Cmax, Tmax, AUC, Route of Elimination, and Protein Binding.

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The workflow to request this data is as follows:

- Click the Get button to try the data
- Click the “Request” button to request the complete package
- DrugBank will get in touch with you to describe how the data will be shared

搜集汇总

背景与挑战

背景概述

该数据集是一个综合性生物医学知识资源，包含超过5亿个关系，覆盖药物、靶点、临床试验等多个模块，适用于传统和机器学习应用，旨在支持研究、精准医疗和药物发现。