Everything about Property graph

🧭 Start here: a 6-step reading path

1. Read the overview: Property graphA 5-minute orientation
2. Skim a recent paper: Hierarchical Molecular Graph Self-Supervised Learning for property predictionInfluential work since 2022
3. Pick up a classic book: Equilibrium thermodynamic data for the H2 - O2 - He systemThe most-reprinted book on the subject
4. Read the landmark paper: pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based SignaturesCited 5,519 times
5. Go sideways: NGSI-LDA closely related topic
6. Go sideways: Graph Query LanguageA closely related topic

🏆 Landmark papers (most cited)

• pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

  Douglas E. V. Pires, Tom L. Blundell, David B. Ascher · 2015 · Journal of Medicinal Chemistry · 5,519 citations

• Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties

  Tian Xie, Jeffrey C. Grossman · 2018 · Physical Review Letters · 2,716 citations

• A graph-theoretical approach to structure-property relationships

  Zlatko Mihalić, Nenad Trinajstić · 1992 · Journal of Chemical Education · 193 citations

• Polymer graph neural networks for multitask property learning

  Owen Queen, Gavin A. McCarver, Saitheeraj Thatigotla · 2023 · npj Computational Materials · 108 citations

• Mapping RDF Databases to Property Graph Databases

  Renzo Angles, Harsh Thakkar, Dominik Tomaszuk · 2020 · IEEE Access · 80 citations

• Classification and Analysis of Regulatory Pathways Using Graph Property, Biochemical and Physicochemical Property, and Functional Property

  Tao Huang, Lei Chen, Yu-Dong Cai · 2011 · PLoS ONE · 77 citations

• Cellular graph automata. I. basic concepts, graph property measurement, closure properties

  Angela Wu, Azriel Rosenfeld · 1979 · Information and Control · 50 citations

• Every Monotone Graph Property Is Testable

  Noga Alon, Asaf Shapira · 2008 · SIAM Journal on Computing · 47 citations

🆕 Influential since 2022

• Hierarchical Molecular Graph Self-Supervised Learning for property prediction

  Xuan Zang, Xianbing Zhao, Buzhou Tang · 2023 · Communications Chemistry · 176 citations

• Kolmogorov–Arnold graph neural networks for molecular property prediction

  Longlong Li, Yipeng Zhang, Guanghui Wang · 2025 · Nature Machine Intelligence · 112 citations

• GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction

  Shuangli Li, Jingbo Zhou, Tong Xu · 2022 · Proceedings of the AAAI Conference on Artificial Intelligence · 103 citations

• Graph-based metamaterials: Deep learning of structure-property relations

  Paul P. Meyer, Colin Bonatti, Thomas Tancogne-Dejean · 2022 · Materials & Design · 80 citations

• Cross-dependent graph neural networks for molecular property prediction

  Hehuan Ma, Yatao Bian, Yu Rong · 2022 · Bioinformatics · 79 citations

📚 Books worth reading

• 📕Equilibrium thermodynamic data for the H2 - O2 - He systemAndre Benoit · 1968
• Fundamentals of Computer Programming with CSharp Free Book (by Nakov & Co.)Svetlin Nakov · 2013
• 📕Combinatorial Reciprocity TheoremsMatthias Beck, Raman Sanyal · 2019
• 📕Polytopes and Discrete GeometryGabriel Cunningham, Mark Mixer · 2021
• Algebraic And Geometric Aspects Of Integrable Systems And Random Matrices Ams Special Session Algebraic And Geometric Aspects Of Integrable Systems And Random Matrices January 67 2012 Boston MaAlgebraic and · 2013
• 📕Probability on algebraic and geometric structuresPhilip J. Feinsilver, Gregory Budzban · 2016
• 📕Probabilistic Methods in Geometry, Topology, and Spectral TheoryYaiza Canzani, Linan Chen · 2019
• Motives, quantum field theory, and pseudodifferential operatorsAlan L. Carey · 2010

Ranked by number of editions on Open Library, a rough measure of how lasting a book is.

🔗 Related topics

• NGSI-LD NGSI-LD is an information model and API for publishing, querying and subscribing to context information. It is meant to facilitate the open exchange and…
• Graph Query Language GQL (Graph Query Language) is a standardized query language for property graphs first described in ISO/IEC 39075, released in April 2024 by ISO/IEC. The…
• Cypher (query language) Cypher is a declarative graph query language that allows for expressive and efficient data querying in a property graph. Cypher was largely an invention…
• Graph database A graph database (GDB) is a database that uses graph structures for semantic queries with nodes, edges, and properties to represent and store data. A key…
• Resource Description Framework The Resource Description Framework (RDF) is a method to describe and exchange graph data. It was originally designed as a data model for metadata by the…
• Link prediction In network theory, link prediction is the problem of predicting the existence of a link between two entities in a network. Examples of link prediction…
• Entity–attribute–value model An entity–attribute–value model (EAV) is a data model optimized for the space-efficient storage of sparse—or ad-hoc—property or data values, intended for…
• RDF Schema RDF Schema (Resource Description Framework Schema, variously abbreviated as RDFS, RDF(S), RDF-S, or RDF/S) is a set of classes with certain properties…