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MUV specifications


Unique identifier OMICS_17255
Name MUV
Alternative name Maximum Unbiased Validation
Restrictions to use None
Community driven No
Data access File download
User data submission Not allowed
Maintained Yes


  • person_outline Knut Baumann

Publication for Maximum Unbiased Validation

MUV citations


Decoys Selection in Benchmarking Datasets: Overview and Perspectives

Front Pharmacol
PMCID: 5787549
PMID: 29416509
DOI: 10.3389/fphar.2018.00011

[…] o reduce artificial enrichment, efforts were made to match as much as possible the physicochemical properties of the decoys to the physicochemical properties of the active compounds. To this aim, the Maximum Unbiased Validation database (MUV) (Rohrer and Baumann, ) was designed to ensure embedding of active compounds in the decoy compounds chemical space based on an embedding confidence distance c […]


Building a virtual ligand screening pipeline using free software: a survey

Brief Bioinform
PMCID: 4793892
PMID: 26094053
DOI: 10.1093/bib/bbv037

[…] ods. Instead of relying on published evaluation studies, users can also evaluate their own docking pipeline on one of the widely used benchmark collections, e.g. the Directory of Useful Decoys [] and Maximum Unbiased Validation []. Apart from the predictive performance, the runtime requirements for docking simulations also vary largely depending on the size and conformational flexibility of ligand […]


An Unbiased Method To Build Benchmarking Sets for Ligand Based Virtual Screening and its Application To GPCRs

J Chem Inf Model
PMCID: 4038372
PMID: 24749745
DOI: 10.1021/ci500062f

[…] nt methods as they provide challenging but fair data sets.,− Its first version was released by Huang et al. in 2006, and its enhanced version DUD-E was released in 2012. In addition to DUD/DUD-E, the maximum unbiased validation (MUV) data sets were recently developed based on PubChem Bioactivity data using the refined nearest neighbor analysis originated from spatial statistics. In 2011, Wallach a […]


Open source platform to benchmark fingerprints for ligand based virtual screening

J Cheminform
PMCID: 3686626
PMID: 23721588
DOI: 10.1186/1758-2946-5-26

[…] ing in total 5000 actives. For each active, two decoys with a Dice similarity > 0.5 using a simple atom-count fingerprint (ECFC0) were randomly selected from ZINC, resulting in total 10000 decoys.The maximum unbiased validation (MUV) data sets [,] are based on PubChem [] bioactivity data. MUV consists of assay data from 17 targets, each with 30 actives and 15000 decoys. Actives were selected from […]


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MUV institution(s)
Institute of Pharmaceutical Chemistry, Braunschweig University of Technology, Braunschweig, Germany

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