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Datasets › MUTAG

MUTAG

Introduced in Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds archive 2025-07-28

In particular, MUTAG is a collection of nitroaromatic compounds and the goal is to predict their mutagenicity on Salmonella typhimurium. Input graphs are used to represent chemical compounds, where vertices stand for atoms and are labeled by the atom type (represented by one-hot encoding), while edges between vertices represent bonds between the corresponding atoms. It includes 188 samples of chemical compounds with 7 discrete node labels.

Source: Fast and Deep Graph Neural Networks

HomepageBenchmarksPapers JSON

Benchmarks archive 2025-07-28

All 3 leaderboards whose dataset resolves to this page shown (sort by any header). "First row" is the archive's own first row at snapshot, in the archive's row order; nothing here re-ranks and metric direction is not asserted.

First row (archive order)PaperCode
Graph Classification MUTAG Evolution of Graph Classifiers Accuracy 100.00% Evolution of Graph Classifiers rohand24/GraphCNN_evolution 74 Compare
Node Classification MUTAG BoP Accuracy 91.17 From Primes to Paths: Enabling Fast Multi-Relational... kbogas/PAM_BoP 6 Compare
Explanation Fidelity Evaluation MUTAG GCN fidelity 0.702 SAME: Uncovering GNN Black Box with Structure-aware... same2023neurips/same 1 Compare

Papers archive 2025-07-28

30 shown of 68 papers with a leaderboard row on this dataset's benchmarks, newest first. The archive's own "papers using this dataset" list was never published, so this is the benchmark-backed subset; the archive's count for this dataset is 274. The Syntology column is from Syntology's graph (read 2026-09-24), stated per sample; it is not part of any archive number.

DateSamples run Syntology
From Primes to Paths: Enabling Fast Multi-Relational Graph Analysis 1 1 17 Nov 2024 not harvested
PANDA: Expanded Width-Aware Message Passing Beyond Rewiring 1 4 6 Jun 2024 ran 7 of 9 samples (2 unverified)
Fine-tuning Graph Neural Networks by Preserving Graph Generative Patterns 1 1 21 Dec 2023 ran 13 of 13 samples (0 unverified; 13 pointer-only for licence)
Graph-level Representation Learning with Joint-Embedding Predictive Architectures 1 1 27 Sep 2023 ran 10 of 11 samples (1 unverified)
SAME: Uncovering GNN Black Box with Structure-aware Shapley-based Multipiece Explanations 1 1 21 Sep 2023 not harvested
Graph isomorphism UNet 1 1 23 Aug 2023 not harvested
CIN++: Enhancing Topological Message Passing 1 1 6 Jun 2023 not harvested
SCENE: Reasoning about Traffic Scenes using Heterogeneous Graph Neural Networks 1 1 9 Jan 2023 not harvested
Cell Attention Networks 1 1 16 Sep 2022 ran 0 of 5 samples (5 unverified)
TREE-G: Decision Trees Contesting Graph Neural Networks 1 1 6 Jul 2022 ran 0 of 10 samples (10 unverified)
DiffWire: Inductive Graph Rewiring via the Lovász Bound 2 3 15 Jun 2022 not harvested
Template based Graph Neural Network with Optimal Transport Distances 1 1 31 May 2022 not harvested
R-GCN: The R Could Stand for Random 1 1 4 Mar 2022 not harvested
DropGNN: Random Dropouts Increase the Expressiveness of Graph Neural Networks 1 1 11 Nov 2021 ran 0 of 3 samples (3 unverified)
Maximum Entropy Weighted Independent Set Pooling for Graph Neural Networks 1 1 3 Jul 2021 ran 2 of 2 samples (0 unverified; 2 pointer-only for licence)
Relation order histograms as a network embedding tool 1 1 9 Jun 2021 not harvested
Accurate Learning of Graph Representations with Graph Multiset Pooling 1 1 23 Feb 2021 ran 4 of 5 samples (1 unverified; 5 pointer-only for licence)
Online Graph Dictionary Learning 1 2 12 Feb 2021 not harvested
Factorizable Graph Convolutional Networks 1 1 12 Oct 2020 ran 2 of 2 samples (0 unverified)
Wasserstein Embedding for Graph Learning 1 1 16 Jun 2020 not harvested
Segmented Graph-Bert for Graph Instance Modeling 1 1 9 Feb 2020 not harvested
Hierarchical Representation Learning in Graph Neural Networks with Node Decimation Pooling 1 1 24 Oct 2019 ran 1 of 1 samples (0 unverified; 1 pointer-only for licence)
Evolution of Graph Classifiers 1 1 4 Oct 2019 not harvested
Universal Graph Transformer Self-Attention Networks 1 2 26 Sep 2019 ran 4 of 4 samples (0 unverified)
Inducing a Decision Tree with Discriminative Paths to Classify Entities in a Knowledge Graph 1 1 22 Aug 2019 not harvested
InfoGraph: Unsupervised and Semi-supervised Graph-Level Representation Learning via Mutual Information Maximization 5 1 31 Jul 2019 not harvested
IsoNN: Isomorphic Neural Network for Graph Representation Learning and Classification 2 1 22 Jul 2019 not harvested
Graph Representation Learning via Hard and Channel-Wise Attention Networks 1 1 5 Jul 2019 not harvested
Improving Attention Mechanism in Graph Neural Networks via Cardinality Preservation 1 1 4 Jul 2019 ran 0 of 1 samples (1 unverified)
Graph Star Net for Generalized Multi-Task Learning 1 1 21 Jun 2019 ran 1 of 6 samples (5 unverified)

The full list of 68 is in the JSON twin.

Dataset loaders archive 2025-07-28

docs.dgl.ai/api/python/dgl.data.html#dgl.data.MUTAGDatasetdmlc/dglpytorchtfmxnet

1 loader as listed in the archive; links are outbound and not re-checked here.

Tasks archive 2025-07-28

Node ClassificationGraph ClassificationExplanation Fidelity Evaluation

License archive 2025-07-28

Unknown

Modalities archive 2025-07-28

Graphs

Languages archive 2025-07-28

No language tagged.

Variants archive 2025-07-28

  • MUTAG

1 variant name, as the archive lists them.

Report a problem or propose a change · a person checks every report against the paper or source before anything changes; decisions are listed on /corrections