MUV

archive 2025-07-28

The Maximum Unbiased Validation (MUV) dataset is a benchmark dataset selected from PubChem BioAssay. It was created by applying a refined nearest-neighbor analysis. The MUV dataset is specifically designed for the validation of virtual screening techniques.

Benchmarks Papers 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)	Paper	Code
Drug Discovery	MUV	TrimNet AUC 0.851	TrimNet: learning molecular representation from triplet...	yvquanli/TrimNet	5	Compare
Molecular Property Prediction	MUV	Deep-CBN ROC-AUC 99.8	Integrating convolutional layers and biformer network...	akianfar/Deep-CBN	5	Compare
Graph Classification	MUV	GTOT-Tuning ROC-AUC 80	Fine-Tuning Graph Neural Networks via Graph Topology...	youjibiying/gtot-tuning	2	Compare

Papers archive 2025-07-28

12 shown of 12 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 12. The Syntology column is from Syntology's graph (read 2026-09-24), stated per sample; it is not part of any archive number.

			Date	Samples run Syntology
Integrating convolutional layers and biformer network with forward-forward and backpropagation training	1	1	28 Feb 2025	not harvested
Pre-training Graph Neural Networks on Molecules by Using Subgraph-Conditioned Graph Information Bottleneck	1	1	20 Feb 2025	not harvested
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)
BioAct-Het: A Heterogeneous Siamese Neural Network for Bioactivity Prediction Using Novel Bioactivity Representatio	1	1	15 Oct 2023	not harvested
Uni-Mol: A Universal 3D Molecular Representation Learning Framework	1	1	8 Sep 2022	not harvested
Fine-Tuning Graph Neural Networks via Graph Topology induced Optimal Transport	1	1	20 Mar 2022	ran 0 of 2 samples (2 unverified)
TrimNet: learning molecular representation from triplet messages for biomedicine	1	1	4 Nov 2020	not harvested
Strategies for Pre-training Graph Neural Networks	11	1	29 May 2019	ran 10 of 14 samples (4 unverified; 2 pointer-only for licence)
Relational Pooling for Graph Representations	1	1	6 Mar 2019	ran 2 of 3 samples (1 unverified; 3 pointer-only for licence)
Learning Graph-Level Representation for Drug Discovery	2	1	12 Sep 2017	not harvested
Low Data Drug Discovery with One-shot Learning	0	1	10 Nov 2016	not harvested
Convolutional Networks on Graphs for Learning Molecular Fingerprints	8	1	30 Sep 2015	ran 0 of 26 samples (26 unverified; 1 pointer-only for licence)

Dataset loaders archive 2025-07-28

No loader listed in the archive.

Tasks archive 2025-07-28

Graph Classification Drug Discovery Molecular Property Prediction

License archive 2025-07-28

No licence recorded in the archive. Absence here is not a statement about the dataset's terms.

Modalities archive 2025-07-28

No modality tagged.

Languages archive 2025-07-28

No language tagged.

Variants archive 2025-07-28

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