Matched pairs demonstrate robustness against inter-assay variability

Journal article

This is the collection associated with list S73 MetXBioDB Metabolite Reaction Database from BioTransformer on the NORMAN Suspect List Exchange. https://www.norman-network.com/nds/SLE/ This dataset is extracted from the database behind BioTransformer (http://biotransformer.ca/) by Yannick Djoumbou-Feunang, David S. Wishart and colleagues. Please cite the BioTransformer article when using this set: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0324-5 This deposition is work in progress ...Work in Progress ... please cite the source publication: DOI: 10.1186/s13321-016-0115-9

Authors: Nelen, J; Pérez-Sánchez, H; De Winter, H; Van Rompaey, D

• Publication status: Published
• Peer review status: Peer reviewed
• Publisher: BioMed Central
• Journal: Journal of Cheminformatics
• Volume: 17
• Issue: 1
• Pages: 8-8
• Publication date: 2025-01-20
• DOI: 10.1186/s13321-025-00956-y
• EISSN: 1758-2946
• ISSN: 1758-2946
• Language: English
• Keywords: Chemistry; Database; Computer science; Biochemistry; Metadata; chEMBL; Data curation; Robustness (evolution); Drug discovery; Biology; Computational biology; Benchmark (surveying); Bioinformatics; Data mining