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Awesome Biomedical Knowledge Graphs

Awesome License

Welcome to the Awesome Biomedical Knowledge Graphs repository! This project aims to curate and share resources related to Biomedical Knowledge Graphs (BKGs), a powerful tool for organizing and analyzing biological data. Whether you are a researcher, developer, or enthusiast in the field of biology or data science, this repository is a valuable resource for you.

Citation

If you find this repository useful, please consider citing our survey paper:

Biomedical Knowledge Graph: A Survey of Domains, Tasks, and Real-World Applications Yuxing Lu, Sin Yee Goi, Xukai Zhao, Jinzhuo Wang arXiv:2501.11632, 2025 [Paper]

@article{lu2025biomedical,
  title={Biomedical Knowledge Graph: A Survey of Domains, Tasks, and Real-World Applications},
  author={Lu, Yuxing and Goi, Sin Yee and Zhao, Xukai and Wang, Jinzhuo},
  journal={arXiv preprint arXiv:2501.11632},
  year={2025}
}

News

2025/1/22: Our survey paper "Biomedical Knowledge Graph: A Survey of Domains, Tasks, and Real-World Applications" is now available on arXiv!

2024/9/5: This project is actively under development.

Feel free to STAR and WATCH to stay updated with our progress.

Overview

Biomedical knowledge graphs (BKGs) have emerged as powerful tools for organizing and leveraging the vast and complex data found across the biomedical field. This survey addresses the gap in existing reviews by offering a systematic review of BKGs from three core perspectives: domains, tasks, and applications.

Key Contributions

  1. Domain-Focused Classification: Detailed classification of BKGs based on their underlying data sources, ranging from multi-omics to pharmacology and clinical data
  2. BKG Tasks Illustration: Examination of key tasks BKGs support, including knowledge management, retrieval, reasoning, and interpretation
  3. Real-World Applications: Showcase of transformative potential of BKGs in precision medicine, drug discovery, and scientific research
  4. Emerging Trends and Future Directions: Analysis of current limitations and discussion of how recent technological breakthroughs (e.g., LLMs and multi-omics integration) might shape the field

Table of Contents

Background

Definition

A BKG is a structured framework designed to represent entities and their relationships within the biomedical domain. Formally, a BKG is defined as G = (E, R, F), where:

  • E is the set of entities
  • R is the set of relations
  • F ⊆ E × R × E is the set of factual triples

Each triple (h, r, t) ∈ F consists of:

  • A head entity h ∈ E
  • A relation r ∈ R
  • A tail entity t ∈ E

Representing facts such as "Gene encodes Protein" or "Drug targets Disease."

Construction Workflow

The construction of a BKG is a multi-step process requiring careful design and validation:

  1. Data Acquisition and Preprocessing

    • Collection from structured databases, semi-structured repositories, and unstructured text
    • Preprocessing involves noise reduction, normalization, and deduplication
  2. Relationship Extraction and Integration

    • Relations extracted using rule-based systems, machine learning models, or advanced NLP techniques
    • Integration process aligns entities and relations across datasets using ontology matching
  3. Graph Validation and Storage

    • Enforcement of integrity constraints (e.g., type compatibility for relations)
    • Storage in graph databases with support for querying using SPARQL or Cypher

Knowledge Graph Representation Methods

Translational Models

Models like TransE, TransH, TransD, and TransR embed entities and relations into ℝ^d and enforce translational consistency: h + r ≈ t

Semantic Matching Models

Models like DistMult and RESCAL decompose the adjacency tensor of the graph, uncovering intricate interaction patterns.

Graph Neural Networks

GNNs (GCNs, GATs) leverage graph topology to learn context-aware embeddings by aggregating information from neighboring nodes.

Embedding in Non-Euclidean Spaces

Approaches like RotatE model relations as rotations in complex vector space, particularly effective for capturing hierarchical and cyclic patterns.

Domains

BKGs are classified into three primary domains: multi-omics, pharmacology, and medical. The intersection of all three domains constitutes a multi-domain BKG.

Multi-omics

Multi-omics BKGs integrate one or more omics data types to enable comprehensive biological analysis:

Genome

  • Model relationships between genomic entities to investigate disease mechanisms
  • Examples: GenomicKB, GenomicsKG

Transcriptome

  • Include all RNA molecules transcribed from the genome
  • Examples: RNA-KG (miRNA-lncRNA associations)

Proteome

  • Focus on protein structure, function, and interactions
  • Examples: ProteinKG25, IDP-KG (intrinsically disordered proteins)

Pharmacology

Pharmacological BKGs focus on drug-disease associations and drug-target interactions:

Pharmacodynamics and Pharmacokinetics

  • Model drug-disease associations (DDAs) and drug-target interactions (DTIs)
  • Examples: IPM-KG (drug pathways), DrugMechDB, OREGANO KG (natural compounds)

Toxicology

  • Model adverse drug reactions (ADRs) and drug-drug interactions (DDIs)
  • Examples: DDI prediction frameworks, drug interaction KGs

Medical

Medical BKGs integrate healthcare-related information:

Medical Knowledge

  • Encompasses medical concepts, terminologies, and theories
  • Examples: Disease-specific KGs (SDKG-11, KGHC for hepatocellular carcinoma)

Clinical Data

  • Real-world patient information from EMRs and EHRs
  • Includes patient registries, laboratory results, and medical images

Multi-domain

Multi-domain BKGs represent the intersection of multi-omics, pharmacology, and medical domains:

  • General BKGs: Broad spectrum of biological data (e.g., Hetionet, PharmKG, PrimeKG)
  • Specific BKGs: Focus on particular diseases or biological pathways (e.g., COVID-19 KGs, Alzheimer's disease KG)

Tasks

BKGs enable diverse biomedical applications through four essential tasks:

Knowledge Management

Collecting, organizing, and storing data through three sub-tasks:

Organization

  • Structuring raw data, particularly unstructured text from literatures and patient registries
  • Examples: SemKG (PubMed mining), COVID-19 multi-modal KG

Transformation

  • Converting heterogeneous structured data into standardized formats
  • Examples: Phosphorylation KG, EHR-oriented KG

Integration

  • Merging knowledge from multiple sources into a single BKG
  • Examples: Hetionet (29 databases), CKG (clinical proteomics)

Knowledge Retrieval

Enabling direct information acquisition through four sub-tasks:

Data Visualization

  • Demonstration of subgraphs or meta-paths for specific entities
  • Examples: GenomicsKG (poly-omics visualization), CVD Atlas KG

Statistical Analysis

  • Revealing patterns like disease distribution and clinical significance
  • Examples: CKG (clinical proteomics statistics), CTKG (statistical methods)

Knowledge Identification

  • Discovering existing yet unutilized opportunities
  • Examples: Literature-based discovery (LBD), treatment path retrieval

Knowledge Enhancement

  • Leveraging BKG as external knowledge source for intelligent applications
  • Examples: Medical diagnosis systems, biomedical LLMs (DRAGON, OntoProtein)

Knowledge Reasoning

Drawing conclusions or generating new knowledge through two approaches:

Inference

  • Rule-based: Predefined paths, entity similarity, clustered patterns
  • Probabilistic: Probability computations for hypotheses

Prediction

  • Rule-based: Statistical analysis and ML algorithms
  • Embedding-based: Translational models, semantic matching, GNN models

Knowledge Interpretation

Providing explanation by backtracking through the reasoning process:

Logical Explanation

  • In-KG interpretation displaying reasoning process within graph topology
  • Examples: Explanatory paths, triple sets or subgraphs

Assisted Interpretation

  • Out-of-KG interpretation translating reasoning to text using LLMs
  • Examples: Graph-to-text generation, RAG workflows

Applications

Information Retrieval

Patient Registry Acquisition

  • Managing cancer registry data, personal health records
  • Examples: Cancer KG, PHR KG, AI chronic disease management

Biomedical Knowledge Acquisition

  • Cross-domain knowledge access
  • Examples: Hetionet, PharmKG, PrimeKG, GenomicKB

Literature Retrieval

  • Accessing biomedical studies and author information
  • Example: PubMed KG (PKG)

Clinical Decision Support

Diagnostic Support

  • Detecting biosignals and symptoms
  • Examples: Chest X-ray classification, radiology report generation

Healthcare Prediction

  • Predicting future health information and medication recommendations
  • Examples: KAME, PREMIER, GAMENet

Intelligent Question Answering

Knowledge Source

  • Supporting answer generation and query interpretation
  • Examples: DRAGON, DKDR (disease diagnosis)

Prediction Validation

  • Probing and validating knowledge in language models
  • Example: BIOLAMA benchmark

Drug Discovery

Drug Repurposing

  • Identifying potential drug candidates through DTI and DDA modeling
  • Examples: TxGNN, COVID-19 drug candidate prediction

ADR Analysis

  • Analyzing drug-drug interactions and adverse reactions
  • Examples: ADR detection, antitumor drug ADR prediction

Scientific Research

Hypotheses Generation

  • Generating high-potential hypotheses for biomedical research
  • Examples: Cancer biomarker discovery, pathology exploration

Research Opportunities Identification

  • Highlighting existing underutilized opportunities
  • Examples: CKG (alternative treatments), cancer registry insights

Other Applications

  • Health Management: Dietary KGs, nutrition-mental health associations
  • Relation Extraction: Biomedical entity relationship identification
  • Medical Education: Personalized learning platforms (SIDES, OntoSIDES)

Resources

Biomedical Databases

Omics Databases

  • KEGG: Genes, proteins, pathways
  • PharmGKB: Genes, proteins, drugs, diseases, pathways
  • Ensembl: Genes, transcripts
  • UniProtKB: Proteins, genes, chemicals, drugs, diseases, pathways
  • STRING: Protein-protein interactions
  • Reactome: Genes, proteins, diseases, pathways
  • WikiPathways: Genes, proteins, diseases, pathways
  • Gene Ontology (GO): Genes, proteins, diseases, pathways

Pharmacology Databases

  • PubChem: Chemicals
  • ChEMBL: Proteins, chemicals, drugs, diseases
  • DrugBank: Genes, chemicals, drugs, pathways
  • DrugCentral: Chemicals, drugs, diseases
  • CTD: Genes, proteins, chemicals, drugs, diseases, pathways
  • BindingDB: Proteins, chemicals, drugs
  • SIDER: Chemicals, drugs, side effects
  • TWOSIDES: Drugs, side effects

Medical Databases

  • DISEASES: Genes, diseases
  • DECIPHER: Genes, diseases
  • MIMIC-IV: Clinical data
  • SemMedDB: Genes, diseases
  • UMLS: Medical concepts
  • Disease Ontology (DO): Diseases
  • MeSH: Genes, proteins, diseases
  • SNOMED CT: Diseases
  • Human Phenotype Ontology (HPO): Diseases

Existing BKGs

Multi-Domain BKGs

BKG Data Sources Entity Types Relation Types Entities Relations KGE
PharmKG OMIM, PharmGKB, ... (6) 3 29 7,601 500,958
PrimeKG CTD, SIDER, ... (20) 10 30 129,375 4,050,249
Hetionet ChEMBL, BindingDB, ... (29) 11 24 47,031 2,250,197
DRKG DrugBank, IntAct, ... (6) 13 107 97,238 5,874,261
TarKG MESH, Hetionet, ... 15 171 1,143,313 32,806,467
SPOKE ChEMBL, DrugBank, ... (30+) 20+ 55 500,000+ 30,000,000+
RTX-KG2 UniProtKB, ChEMBL, ... (70+) 61 72 6,400,000+ 39,000,000+
OpenBioLink GO, UBERON, ... (15) 5 28 184,732 4,563,405
BioKG DrugBank, IntAct, ... (5) 5 51 105,524 2,084,382
ROBOKOP ChEMBL, CTD, ... (20+) 20+ 100+ 3,000,000+ 30,000,000+

Omics BKGs

BKG Focus Data Sources KGE
GenomicKB Genome GENCODE, GO, ...
GenomicsKG Cancer genomics TCGA, COSMIC, ...
RNA-KG RNA interactions HPO, MONDO, ...
ProteinKG65 Protein UniProt, GO, ...
ProteinKG25 Protein UniProt, Reactome, ...
IDP-KG Intrinsically disordered proteins DisProt, STRING, ...
PathwayKG Biological pathways KEGG, Reactome, WikiPathways
MetaKG Metabolomics HMDB, MetaCyc, KEGG
miRKG microRNA miRBase, miRTarBase, ...
BioGRID Protein-protein interactions Manual curation, high-throughput

Pharmacology BKGs

BKG Focus Data Sources KGE
DrugMechDB Drug mechanisms DrugBank, UniProt, ...
OREGANO Natural compounds PharmGKB, SIDER, ... (8)
IPM-KG Drug pathways DrugBank, CTD, ... (4)
TTD Therapeutic targets Manual curation, UniProt, ...
SIDER-KG Drug side effects SIDER, UMLS, ...
ADRKNet Adverse drug reactions FDA Adverse Event, DrugBank
Drug-Target Commons Drug-target interactions ChEMBL, BindingDB, ...
PharmKG-i2b2 Clinical pharmacology i2b2, DrugBank, ...
KGDRP Drug discovery Multiple drug databases

Medical BKGs

BKG Focus Data Sources KGE
CKG Clinical proteomics UniProt, DISEASES, ... (25)
CTKG Clinical trials AACT
SDKG-11 11 diseases MirBase, ChEMBI, ... (7)
KGHC Hepatocellular carcinoma SemMedDB, PubMed, ...
COVID-19-KG COVID-19 CORD-19, CTD, UniProt, ...
PKG PubMed literature PubMed, UMLS, ...
EHR-KG Electronic health records MIMIC-IV, OMOP, ...
Alzheimer-KG Alzheimer's disease OMIM, DisGeNET, ...
MIMIC-KG Intensive care MIMIC-III, UMLS, ...
Cancer-KG Cancer TCGA, COSMIC, OncoKB, ...
DiseaseKG Disease mechanisms OMIM, DO, HPO, ...

KG Tools

Graph Databases

  • Neo4J: Graph database management system
  • ArangoDB: Multi-modal graph database with analysis and visualization

Construction Tools

  • PheKnowLator: Semantic ecosystem with KG construction resources
  • Neo4j LLM Knowledge Graph Builder: Online text-to-graph conversion
  • KGTK: Library for various KG operations

Extraction Tools

  • SemaRep: Semantic relations extraction from biomedical text
  • TNNT: NLP-NER toolkit for entity extraction
  • DeepKE: Deep-learning based extraction toolkit

Analysis Tools

  • PBG: Graph embeddings for large graphs
  • graph-tool: Python module for graph manipulation and analysis
  • NetworkX: Python package for network analysis

Limitations

Data Integration

  • Data heterogeneity across structural, semantic, and qualitative dimensions
  • Lack of standardized data collection protocols
  • Challenges in harmonizing data while maintaining integrity

Semantic Ambiguity and Standardization

  • Multiple naming conventions for biological entities
  • Context-dependent interpretations
  • Inconsistent usage of ontologies across research communities

Scalability

  • Computational complexity of graph queries
  • Growing storage requirements
  • Performance bottlenecks in real-time processing

Interpretability

  • Challenges in understanding derived relationships
  • Difficulty navigating complex network structures
  • Lack of intuitive visualization tools

Trends and Opportunities

Current Trends

  • Multi-omics Integration: Incorporating diverse omics data for comprehensive biological analysis
  • Multimodal Representations: Including medical imaging, clinical notes, molecular structures
  • Large Language Models: Automated knowledge extraction, entity recognition, relationship mapping

Emerging Opportunities

  • Accelerated Research: Novel connection identification, drug target prediction, disease mechanism understanding
  • Drug Discovery: Efficient candidate identification, drug-target interaction analysis, side effect recognition
  • Clinical Settings: Context-aware decision support, personalized treatment planning, outcome prediction

Related Surveys

  • Biomedical Knowledge Graph: A Survey of Domains, Tasks, and Real-World Applications (arXiv, 2025) [paper] - This repository's accompanying survey paper
  • Biological applications of knowledge graph embedding models (Brief. Bioinformatics, 2021) [paper]
  • A Survey on Knowledge Graphs for Healthcare: Resources, Applications, and Promises (arXiv, 2023) [paper]
  • Constructing knowledge graphs and their biomedical applications (CSBJ, 2020) [paper]

Referenced Papers

This section contains all 196 papers referenced in our survey, organized by topic for easy navigation.

Knowledge Graph Foundations & Embeddings

# Title First Author et al. Year Venue
12 A Survey on Knowledge Graphs: Representation, Acquisition, and Applications Ji, S., et al. 2022 IEEE Trans Neural Netw Learn Syst
13 A Survey on Knowledge Graph Embedding Yan, Q., et al. 2022 DSC
14 Knowledge Graphs: Opportunities and Challenges Peng, C., et al. 2023 Artif Intell Rev
15 A Comprehensive Survey on Automatic Knowledge Graph Construction Zhong, L., et al. 2023 ACM Comput Surv
21 Knowledge Graph Embedding for Link Prediction Rossi, A., et al. 2021 ACM TKDD
23 Adversarial Explanations for Knowledge Graph Embeddings Patrick Betz, C.M., et al. 2022 IJCAI
24 Translating embeddings for modeling multi-relational data Bordes, A., et al. 2013 NeurIPS
25 Knowledge graph embedding by translating on hyperplanes Wang, Z., et al. 2014 AAAI
26 Knowledge graph embedding via dynamic mapping matrix Ji, G., et al. 2015 ACL
27 Learning entity and relation embeddings for knowledge graph completion Lin, Y., et al. 2015 AAAI
28 Embedding Entities and Relations for Learning and Inference in Knowledge Bases Yang, B., et al. 2014 ICLR
29 A three-way model for collective learning on multi-relational data Nickel, M., et al. 2011 ICML
32 Rotate: Knowledge graph embedding by relational rotation in complex space Sun, Z., et al. 2019 arXiv
47 A review: Knowledge reasoning over knowledge graph Chen, X., et al. 2020 Expert Syst Appl
145 Knowledge Graph Completion: A Review Chen, Z., et al. 2020 IEEE Access
146 A Review of Knowledge Graph Completion Zamini, M., et al. 2022 Information
155 Complex Embeddings for Simple Link Prediction Trouillon, T., et al. 2016 arXiv

Biomedical Knowledge Graphs - Construction & Methods

# Title First Author et al. Year Venue
1 A knowledge graph to interpret clinical proteomics data Santos, A., et al. 2022 Nat Biotechnol
2 Towards electronic health record-based medical knowledge graph construction, completion, and applications Murali, L., et al. 2023 J Biomed Inform
3 Big data application in biomedical research and health care Luo, J., et al. 2016 Biomed Inform Insights
4 Network embedding in biomedical data science Su, C., et al. 2020 Brief Bioinform
5 Knowledge-Based Biomedical Data Science Callahan, T.J., et al. 2020 Annu Rev Biomed Data Sci
8 Constructing knowledge graphs and their biomedical applications Nicholson, D.N., et al. 2020 Comput Struct Biotechnol J
9 Toward better drug discovery with knowledge graph Zeng, X., et al. 2022 Curr Opin Struct Biol
10 Medical Knowledge Graph: Data Sources, Construction, Reasoning, and Applications Wu, X., et al. 2023 Big Data Min Anal
11 A Survey on Knowledge Graphs for Healthcare Cui, H., et al. 2023 arXiv
22 Biological applications of knowledge graph embedding models Mohamed, S.K., et al. 2021 Brief Bioinform
34 Multi-Modal Knowledge Graph Construction and Application: A Survey Zhu, X., et al. 2024 IEEE TKDE
35 A Systematic Review on Knowledge Graphs Classification and Their Various Usages Mst. Mim, A., et al. 2023 Artif Intell Evol
37 Graph representation learning in biomedicine and healthcare Li, M.M., et al. 2022 Nat Biomed Eng
40 Individualized Knowledge Graph: A Viable Informatics Path to Precision Medicine Ping, P., et al. 2017 Circ Res
45 Large-scale knowledge graph representations of disease processes Hoch, M., et al. 2024 Curr Opin Syst Biol
104 Semantic Health Knowledge Graph Shi, L., et al. 2017 Biomed Res Int
112 Building a knowledge graph to enable precision medicine Chandak, P., et al. 2023 Sci Data

Relation Extraction & NLP

# Title First Author et al. Year Venue
16 RECON: Relation Extraction using Knowledge Graph Context in a Graph Neural Network Bastos, A., et al. 2021 WWW
17 Incorporating medical knowledge in BERT for clinical relation extraction Roy, A., et al. 2021 Conference
18 A hybrid model based on neural networks for biomedical relation extraction Zhang, Y., et al. 2018 J Biomed Inform
19 Broad-coverage biomedical relation extraction with SemRep Kilicoglu, H., et al. 2020 BMC Bioinformatics
20 Biomedical Relation Extraction With Knowledge Graph-Based Recommendations Sousa, D., et al. 2022 IEEE J Biomed Health Inform
187 KGBReF Sun, Y., et al. 2021 ISME
188 Learning to Leverage High-Order Medical Knowledge Graph for Joint Entity and Relation Extraction Yang, Z., et al. 2023 Conference
189 GREG: A Global Level Relation Extraction with Knowledge Graph Embedding Kim, K., et al. 2020 Appl Sci

Large Language Models & Knowledge Graphs

# Title First Author et al. Year Venue
6 Unifying Large Language Models and Knowledge Graphs: A Roadmap Pan, S., et al. 2024 IEEE TKDE
7 Enhancing multimodal knowledge graph representation learning through triple contrastive learning Lu, Y., et al. 2024 IJCAI
48 Knowledge Graph Large Language Model (KG-LLM) for Link Prediction Shu, D., et al. 2024 Conference
49 A framework for human evaluation of large language models in healthcare Tam, T.Y.C., et al. 2024 NPJ Digit Med
50 The future landscape of large language models in medicine Clusmann, J., et al. 2023 Commun Med
51 The application of large language models in medicine Meng, X., et al. 2024 iScience
136 Biomedical knowledge graph-optimized prompt generation for large language models Soman, K., et al. 2024 Bioinformatics
137 Phenomics Assistant: An Interface for LLM-based Biomedical Knowledge Graph Exploration O'Neil, S.T., et al. 2024 bioRxiv
154 FuseLinker: Leveraging LLM's pre-trained text embeddings and domain knowledge Xiao, Y., et al. 2024 J Biomed Inform
156 Explainable Biomedical Hypothesis Generation via Retrieval Augmented Generation Pelletier, A., et al. 2024 Conference
157 Medical Graph RAG Wu, J., et al. 2024 arXiv
165 ClinicalRAG: Enhancing Clinical Decision Support through Heterogeneous Knowledge Retrieval Lu, Y., et al. 2024 Workshop
166 Rag and rau: A survey on retrieval-augmented language model Hu, Y., et al. 2024 arXiv
167 ClinicalRAG: Enhancing Clinical Decision Support through Heterogeneous Knowledge Retrieval Lu, Y., et al. 2024 Workshop
173 An Enhanced Prompt-Based LLM Reasoning Scheme via Knowledge Graph-Integrated Collaboration Li, Y., et al. 2024 ICANN
174 Knowledge-graph-based explainable AI Rajabi, E., et al. 2024 J Inf Sci
175 KRAGEN: a knowledge graph-enhanced RAG framework Matsumoto, N., et al. 2024 Bioinformatics
176 Knowledge Graphs as Context Sources for LLM-Based Explanations Abu-Rasheed, H., et al. 2024 EDUCON
177 Cross-Data Knowledge Graph Construction for LLM-enabled Educational QA System Bui, T., et al. 2024 ACM Workshop
178 Can Language Models be Biomedical Knowledge Bases? Sung, M., et al. 2021 arXiv
180 Benchmarking Biomedical Relation Knowledge in Large Language Models Zhang, F., et al. 2024 BIBE

Multi-omics & Genomics

# Title First Author et al. Year Venue
52 GenomicKB: a knowledge graph for the human genome Feng, F., et al. 2023 Nucleic Acids Res
53 GenomicsKG: A Knowledge Graph to Visualize Poly-Omics Data Jha, A., et al. 2019 J Adv Health
54 An ontology-based knowledge graph for representing interactions involving RNA molecules Cavalleri, E., et al. 2024 Sci Data
55 Knowledge graph construction based on granulosa cells transcriptome Liu, W., et al. 2024 J Ovarian Res
56 miRNA-Disease Association Prediction with Collaborative Matrix Factorization Shen, Z., et al. 2017 Complexity
57 A Meta-Graph for the Construction of an RNA-Centered Knowledge Graph Cavalleri, E., et al. 2023 IWBBIO
58 Metastatic Site Prediction in Breast Cancer using Omics Knowledge Graph Jha, A., et al. 2020 bioRxiv
59 OntoProtein: Protein Pretraining With Gene Ontology Embedding Zhang, N., et al. 2022 arXiv
60 Machine learning prediction and tau-based screening identifies potential Alzheimer's disease genes Binder, J., et al. 2022 Commun Biol
61 Creating and Exploiting the Intrinsically Disordered Protein Knowledge Graph (IDP-KG) Gray, A.J.G., et al. 2022 SWAT4HCLS
62 Accurate prediction of kinase-substrate networks using knowledge graphs Novacek, V., et al. 2020 PLoS Comput Biol
63 Multi-Modal Protein Knowledge Graph Construction and Applications Cheng, S., et al. 2023 AAAI
94 A knowledge graph approach to predict and interpret disease-causing gene interactions Renaux, A., et al. 2023 BMC Bioinformatics
140 GOProteinGNN: Leveraging Protein Knowledge Graphs for Protein Representation Learning Kalifa, D., et al. 2024 arXiv

Pharmacology & Drug Discovery

# Title First Author et al. Year Venue
36 MKGE: Knowledge graph embedding with molecular structure information Zhang, Y., et al. 2022 Comput Biol Chem
39 Prediction of drug-drug interaction events using graph neural networks Al-Rabeah, M.H., et al. 2022 Sci Rep
41 Explainable drug repurposing via path based knowledge graph completion Jimenez, A., et al. 2024 Sci Rep
42 Discovering protein drug targets using knowledge graph embeddings Mohamed, S.K., et al. 2020 Bioinformatics
43 Neural Multi-hop Reasoning with Logical Rules on Biomedical Knowledge Graphs Liu, Y., et al. 2021 Semantic Web
44 Explainable Biomedical Recommendations via Reinforcement Learning Reasoning Edwards, G.P., et al. 2021 arXiv
64 FORUM: building a Knowledge Graph from public databases Delmas, M., et al. 2021 Bioinformatics
65 Predicting the effects of drugs using IPM-KG Tanaka, T., et al. 2025 Comput Biol Med
66 DrugMechDB: A Curated Database of Drug Mechanisms Gonzalez-Cavazos, A.C., et al. 2023 Sci Data
67 Drug repurposing for COVID-19 via knowledge graph completion Zhang, R., et al. 2021 J Biomed Inform
68 Biological Insights Knowledge Graph Geleta, D., et al. 2021 bioRxiv
69 KG-Predict: A knowledge graph computational framework for drug repurposing Gao, Z., et al. 2022 J Biomed Inform
70 The OREGANO knowledge graph for computational drug repurposing Boudin, M., et al. 2023 Sci Data
71 Transporter proteins knowledge graph construction Chen, X.H., et al. 2023 Comput Struct Biotechnol J
72 MegaKG: Toward an explainable knowledge graph for early drug development Dong, J., et al. 2024 bioRxiv
73 Knowledge-driven drug repurposing using a comprehensive drug knowledge graph Zhu, Y., et al. 2020 Health Inform J
74 Mining on Alzheimer's diseases related knowledge graph Nian, Y., et al. 2022 BMC Bioinformatics
75 Large-scale structural and textual similarity-based mining for drug-drug interactions Abdelaziz, I., et al. 2017 J Web Semant
76 Knowledge graph prediction of unknown adverse drug reactions Bean, D.M., et al. 2017 Sci Rep
77 Drugomics: Knowledge Graph & AI to Construct Physicians' Brain Digital Twin Talukder, A.K., et al. 2022 Big Data Anal
78 Drug-Drug Interaction Prediction Based on Knowledge Graph Embeddings Karim, M.R., et al. 2019 ACM BCB
79 Prediction of adverse drug reactions based on knowledge graph embedding Zhang, F., et al. 2021 BMC Med Inform Decis Mak
95 Medical knowledge graph question answering for drug-drug interaction prediction Gao, P., et al. 2024 CAAI Trans Intell Technol
114 Advancing drug-target interaction prediction Djeddi, W.E., et al. 2023 BMC Bioinformatics
115 Injecting domain knowledge into graph neural networks Balbi, L., et al. 2024 Conference
116 A foundation model for clinician-centered drug repurposing Huang, K., et al. 2024 Nat Med
119 COVID-19 Knowledge Graph Domingo-Fernandez, D., et al. 2021 Bioinformatics
141 KnowLife: A knowledge graph for health and life sciences Ernst, P., et al. 2014 ICDE
142 Finding melanoma drugs through a probabilistic knowledge graph McCusker, J.P., et al. 2017 PeerJ Comput Sci
152 DPDDI: a deep predictor for drug-drug interactions Feng, Y.H., et al. 2020 BMC Bioinformatics
153 A probabilistic knowledge graph for target identification Liu, C., et al. 2024 PLoS Comput Biol
179 From Large Language Models to Knowledge Graphs for Biomarker Discovery Karim, M.R., et al. 2023 arXiv
182 A unified drug-target interaction prediction framework Ye, Q., et al. 2021 Nat Commun
183 Adverse Drug Reaction Discovery Using a Tumor-Biomarker Knowledge Graph Wang, M., et al. 2020 Front Genet
184 Integrating knowledge graphs into machine learning for survival prediction Fang, C., et al. 2024 J Transl Med
185 A Biomedical Knowledge Graph for Biomarker Discovery in Cancer Karim, M.R., et al. 2023 arXiv
195 Drkg-drug repurposing knowledge graph for covid-19 Ioannidis, V.N., et al. 2020 arXiv
196 Design Considerations for a Knowledge Graph: The WATRIMed Use Case Some, B.M.J., et al. 2019 Stud Health Technol Inform

Medical & Clinical Applications

# Title First Author et al. Year Venue
31 Pay attention to doctor-patient dialogues Zheng, W., et al. 2021 Inf Fusion
33 Enhancing ophthalmology medical record management with multi-modal knowledge graphs Gao, W., et al. 2024 Sci Rep
38 Molecular-evaluated and explainable drug repurposing for COVID-19 Islam, M.K., et al. 2023 Sci Rep
46 Inference of Biomedical Relations Among Chemicals, Genes, Diseases, and Symptoms Choi, W., et al. 2019 IEEE Access
81 A knowledge graph based question answering method for medical domain Huang, X., et al. 2021 PeerJ Comput Sci
82 EHR-Oriented Knowledge Graph System Shang, Y., et al. 2021 IEEE J Biomed Health Inform
83 SMR: Medical Knowledge Graph Embedding for Safe Medicine Recommendation Gong, F., et al. 2021 Big Data Res
84 Multimodal reasoning based on knowledge graph embedding for specific diseases Zhu, C., et al. 2022 Bioinformatics
85 KGHC: a knowledge graph for hepatocellular carcinoma Li, N., et al. 2020 BMC Med Inform Decis Mak
86 Constructing Knowledge Graphs of Depression Huang, Z., et al. 2017 HIS
87 Kame Ma, F., et al. 2018 CIKM
88 Medical Knowledge Graph to Enhance Fraud, Waste, and Abuse Detection Sun, H., et al. 2020 JMIR Med Inform
89 A global network of biomedical relationships derived from text Percha, B., et al. 2018 Bioinformatics
90 Learning a Health Knowledge Graph from Electronic Medical Records Rotmensch, M., et al. 2017 Sci Rep
91 A knowledge graph of clinical trials Chen, Z., et al. 2022 Sci Rep
92 Towards a Knowledge Graph of Health Evolution Morales Tirado, A.C., et al. 2022 EKAW
93 Construction of a knowledge graph for diabetes complications Wang, L., et al. 2020 Comput Assist Surg
96 COVID-19 Knowledge Graph for Drug and Vaccine Development Huang, L., et al. 2021 BIBM
97 PharmKG: a dedicated knowledge graph benchmark Zheng, S., et al. 2021 Brief Bioinform
98 TarKG: a comprehensive biomedical knowledge graph for target discovery Zhou, C., et al. 2024 Bioinformatics
99 Systematic integration of biomedical knowledge prioritizes drugs for repurposing Himmelstein, D.S., et al. 2017 Elife
100 BioKG Walsh, B., et al. 2020 CIKM
101 An integrative knowledge graph for rare diseases Zhu, Q., et al. 2020 J Biomed Semantics
102 Knowledge Graphs of Kawasaki Disease Huang, Z., et al. 2021 Health Inf Sci Syst
103 SemaTyP: a knowledge graph based literature mining method Sang, S., et al. 2018 BMC Bioinformatics
105 A Literature-Based Knowledge Graph Embedding Method Sosa, D.N., et al. 2020 Pac Symp Biocomput
106 The Unified Medical Language System (UMLS) Bodenreider, O. 2004 Nucleic Acids Res
107 Knowledge Graph-Enabled Cancer Data Analytics Hasan, S.M.S., et al. 2020 IEEE J Biomed Health Inform
108 Improving chronic disease management for children Yu, G., et al. 2022 Expert Syst Appl
113 Mining health knowledge graph for health risk prediction Tao, X., et al. 2020 World Wide Web
117 CVD Atlas: a multi-omics database of cardiovascular disease Qian, Q., et al. 2024 Nucleic Acids Res
118 VisAGE: Integrating external knowledge into electronic medical record visualization Huang, E.W., et al. 2018 Pac Symp Biocomput
120 ALOHA: developing an interactive graph-based visualization for dietary supplement He, X., et al. 2019 BMC Med Inform Decis Mak
121 Application and evaluation of knowledge graph embeddings in biomedical data Alshahrani, M., et al. 2021 PeerJ Comput Sci
122 The biomedical knowledge graph of symptom phenotype in coronary artery plaque Huan, J.M., et al. 2024 BioData Min
125 HEAL: A Knowledge Graph for Distress Management Conversations Welivita, A., et al. 2022 AAAI
128 Building a PubMed knowledge graph Xu, J., et al. 2020 Sci Data
129 A Coherent Biomedical Literature Clustering and Summarization Approach Yoo, I., et al. 2006 DaWaK
130 Literature-Based Discovery beyond the ABC paradigm Moreau, E., et al. 2021 bioRxiv
131 CoMent: Relationships Between Biomedical Concepts Inferred From the Scientific Literature Pazos, F., et al. 2022 J Mol Biol
132 Expanding a database-derived biomedical knowledge graph Nicholson, D.N., et al. 2022 BioData Min
133 Multitask Healthcare Management Recommendation System Liu, W., et al. 2021 J Healthc Eng
134 When Radiology Report Generation Meets Knowledge Graph Zhang, Y., et al. 2020 AAAI
135 A Relational-Learning Perspective To Multi-Label Chest X-Ray Classification Sekuboyina, A.K., et al. 2021 ISBI
138 DKDR: An Approach of Knowledge Graph and Deep Reinforcement Learning for Disease Diagnosis Jia, Y., et al. 2019 ISPA
139 Deep Bidirectional Language-Knowledge Graph Pretraining Yasunaga, M., et al. 2022 arXiv
143 Learning and inference in knowledge-based probabilistic model for medical diagnosis Jiang, J., et al. 2017 Knowl Based Syst
144 Towards Smart Healthcare Management Based on Knowledge Graph Technology Huang, L., et al. 2019 ICSCA
147 Leap Zhang, Y., et al. 2017 KDD
148 GAMENet: graph augmented memory networks for recommending medication combination Shang, J., et al. 2019 AAAI
149 Smore Ren, H., et al. 2022 KDD
150 Personalizing Medication Recommendation with a Graph-Based Approach Bhoi, S., et al. 2021 ACM TOIS
151 A Knowledge Graph Approach to Elucidate the Role of Organellar Pathways in Disease Pelletier, A.R., et al. 2023 J Vis Exp
164 Medkpl: a heterogeneous knowledge enhanced prompt learning framework Lu, Y., et al. 2023 J Biomed Inform
168 Design and Implementation of Personal Health Record Systems Based on Knowledge Graph Wang, H., et al. 2018 ITME
169 An overview of clinical decision support systems Sutton, R.T., et al. 2020 NPJ Digit Med
170 Biomedical knowledge graph embeddings for personalized medicine Vilela, J., et al. 2022 Expert Syst
171 Knowledge Graph Applications in Medical Imaging Analysis Wang, S., et al. 2022 Health Data Sci
172 Imaging-based observational databases for clinical problem solving Bui, A.A., et al. 2013 J Am Med Inform Assoc
181 Medical knowledge-enhanced prompt learning for diagnosis classification Lu, Y., et al. 2023 ClinicalNLP
186 GENA: A knowledge graph for nutrition and mental health Dang, L.D., et al. 2023 J Biomed Inform
190 A Knowledge Graph Enhanced Learner Model Ettorre, A., et al. 2020 EKAW
191 How to Empower Disease Diagnosis in a Medical Education System Ansong, S., et al. 2019 WISA
192 OpenBioLink: a benchmarking framework Breit, A., et al. 2020 Bioinformatics
193 ROBOKOP KG and KGB Bizon, C., et al. 2019 J Chem Inf Model
194 Enriching contextualized language model from knowledge graph Fei, H., et al. 2021 Brief Bioinform

Graph Neural Networks & Deep Learning

# Title First Author et al. Year Venue
30 Representation Learning of Histopathology Images using Graph Neural Networks Adnan, M., et al. 2020 CVPRW
158 ExFaKT: A Framework for Explaining Facts over Knowledge Graphs and Text Gad-Elrab, M.H., et al. 2019 WSDM
159 GAP: A Graph-aware Language Model Framework Colas, A., et al. 2022 COLING
160 JointGT: Graph-Text Joint Representation Learning Ke, P., et al. 2021 Findings
161 Few-shot Knowledge Graph-to-Text Generation Junyi, L., et al. 2021 Conference
162 KG-BART: Knowledge Graph-Augmented BART Liu, Y., et al. 2020 arXiv
163 EventNarrative: A large-scale Event-centric Dataset Colas, A., et al. 2021 arXiv

Visualization & Analysis

# Title First Author et al. Year Venue
123 QueDI: From Knowledge Graph Querying to Data Visualization De Donato, R., et al. 2020 SEMANTiCS
124 Construction, Visualization and Application of Knowledge Graph of Computer Science Major Li, Y., et al. 2019 ICBDE
126 Research Status, Hotspots, and Evolutionary Trends of Intelligent Education Shi, D., et al. 2022 Sustainability
127 A systematic study of knowledge graph analysis for cross-language plagiarism detection Franco-Salvador, M., et al. 2016 Inf Process Manag

Databases & Data Sources

# Title First Author et al. Year Venue
80 Pharmacokinetic and Pharmacodynamic Principles for Toxicology Lista, A.D., et al. 2021 Crit Care Clin
106 The Unified Medical Language System (UMLS): integrating biomedical terminology Bodenreider, O. 2004 Nucleic Acids Res
109 Gene Expression Omnibus: NCBI gene expression and hybridization array data repository Edgar, R., et al. 2002 Nucleic Acids Res
110 DECIPHER: database for the interpretation of phenotype-linked plausibly pathogenic sequence Bragin, E., et al. 2014 Nucleic Acids Res
111 MIMIC-III, a freely accessible critical care database Johnson, A.E.W., et al. 2016 Sci Data

Note: This section includes a curated selection of the 196 papers referenced in our survey. For the complete list with full citations and DOIs, please refer to the survey paper.

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We welcome contributions from the community! Please feel free to:

  • Submit pull requests to add new resources
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  • Share your BKG-related projects

License

This project is licensed under the Apache License 2.0 - see the LICENSE file for details.

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A curated list of Biomedical Knowledge Graph related learning materials, databases, tools and other resources

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