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PTC (Predictive Toxicology Challenge)

Introduced in The predictive toxicology challenge archive 2025-07-28

PTC is a collection of 344 chemical compounds represented as graphs which report the carcinogenicity for rats. There are 19 node labels for each node.

Source: Unsupervised Inductive Graph-Level Representation Learning via Graph-Graph Proximity

HomepageBenchmarksPapers JSON

Benchmarks archive 2025-07-28

All 1 leaderboard 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 PTC U2GNN (Unsupervised) Accuracy 91.81% Universal Graph Transformer Self-Attention Networks daiquocnguyen/Graph-Transformer 37 Compare

Papers archive 2025-07-28

30 shown of 33 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 111. 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
Graph isomorphism UNet 1 1 23 Aug 2023 not harvested
CIN++: Enhancing Topological Message Passing 1 1 6 Jun 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)
Template based Graph Neural Network with Optimal Transport Distances 1 1 31 May 2022 not harvested
A New Perspective on the Effects of Spectrum in Graph Neural Networks 1 1 14 Dec 2021 ran 0 of 2 samples (2 unverified)
DropGNN: Random Dropouts Increase the Expressiveness of Graph Neural Networks 1 1 11 Nov 2021 ran 0 of 3 samples (3 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
Universal Graph Transformer Self-Attention Networks 1 2 26 Sep 2019 ran 4 of 4 samples (0 unverified)
Learning Universal Graph Neural Network Embeddings With Aid Of Transfer Learning 1 1 22 Sep 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 3 5 Jul 2019 not harvested
Wasserstein Weisfeiler-Lehman Graph Kernels 2 1 4 Jun 2019 ran 0 of 11 samples (11 unverified)
Provably Powerful Graph Networks 2 1 27 May 2019 ran 0 of 8 samples (8 unverified)
Mutual Information Maximization in Graph Neural Networks 2 1 21 May 2019 not harvested
DDGK: Learning Graph Representations for Deep Divergence Graph Kernels 1 1 21 Apr 2019 not harvested
SPI-GCN: A Simple Permutation-Invariant Graph Convolutional Network 0 1 8 Apr 2019 not harvested
DAGCN: Dual Attention Graph Convolutional Networks 1 1 4 Apr 2019 not harvested
Weisfeiler and Leman go sparse: Towards scalable higher-order graph embeddings 1 1 2 Apr 2019 ran 0 of 1 samples (1 unverified; 1 pointer-only for licence)
Unsupervised Inductive Graph-Level Representation Learning via Graph-Graph Proximity 1 2 1 Apr 2019 not harvested
Subgraph Networks with Application to Structural Feature Space Expansion 0 1 21 Mar 2019 not harvested
Capsule Neural Networks for Graph Classification using Explicit Tensorial Graph Representations 0 1 22 Feb 2019 not harvested
Discriminative Graph Autoencoder 0 1 17 Nov 2018 not harvested
Gaussian-Induced Convolution for Graphs 0 1 11 Nov 2018 not harvested
A simple yet effective baseline for non-attributed graph classification 2 1 8 Nov 2018 not harvested
A Simple Baseline Algorithm for Graph Classification 3 1 22 Oct 2018 not harvested
How Powerful are Graph Neural Networks? 19 1 1 Oct 2018 ran 3 of 10 samples (7 unverified; 5 pointer-only for licence)
When Work Matters: Transforming Classical Network Structures to Graph CNN 0 1 7 Jul 2018 not harvested

The full list of 33 is in the JSON twin.

Dataset loaders archive 2025-07-28

daiquocnguyen/Graph-Transformerpytorch

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

Tasks archive 2025-07-28

Graph Classification

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

  • PTC

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