Data files for:Critical assessment of the chemical space covered by LC-HRMS non-targeted analysis
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下载链接：
https://zenodo.org/record/7270759
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资源简介：
This upload contains the data for the review: "Critical assessment of the chemical space covered by LC-HRMS non-targeted analysis".
All the files needed to run the code uploaded to GitHub (https://github.com/tobihul/CEC_review_code) can be found here.
Included is:
All 2657 structures found in the studied papers with their CID, InChIKey, and SMILES and whether they can be found in MassBank
All the experimental parameters retrieved for each study in each category along with the general scope of each study
The file with the CID, MW, XLogP3 and experimental parameters for each of the 61 papers
The CSV file containing all classes of each of the compounds from the papers
The CSV with all of the structures used to plot the chemical space of NORMAN SusDat (their CIDs)
创建时间：
2023-08-16
