Published July 1, 2022
| Version v3
Dataset
Open
Supplementary Data - Metabolite annotation from knowns to unknowns through knowledge-guided multi-layer network
Authors/Creators
- 1. Interdisciplinary Research Center on Biology and Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences
Description
Supplementary data 1: Peak annotation evaluation between MetDNA1 and KGMN (MetDNA2)
Supplementary data 2: 46 standard mixture (46std_mix) and the knowledge-based metabolic reaction network
Supplementary data 3: KGMN results of 46std_mix data set and validation results
Supplementary data 4: KGMN results of NIST urine data sets and validation results
Supplementary data 5: KGMN results of different biological samples
Supplementary data 6: Recurrent unknowns of NIST urine via repository-mining
Supplementary data 7: Table of adducts, neutral losses, empirical rules in KGMN
Files
Supplementary data 8.zip
Files
(32.6 MB)
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