PubChem PFAS Tree by PubChemLite Categories
Contributors
Related person:
-
1.
University of Tübingen
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2.
University of Copenhagen
Description
This is a collection of download files created from PubChem by overlapping the 11 PubChemLite annotation categories (see PubChemLite website) with the PubChem PFAS Tree using Saved Searches and Entrez mapping in PubChem for the annotation categories from the TOC browser and downloading the resulting sets on the PubChem PFAS Tree browser. The files are named by the annotation category shorthand used in PubChemLite.
Note that these files have been created to help capture the organofluorine content after discussions with Jonathan Zweigle, since this cannot be downloaded easily in the PubChem PFAS Tree download files, located at DOI: 10.5281/zenodo.14740382.
Since PubChem was in shutdown since Oct 2025 and the last PFAS Tree update was 9 Sept 2025, these files match the other data files in this version DOI: 10.5281/zenodo.17234333.
Files
PubChem_compound_cache_PFAS_Tree_AgroChemInfo.csv
Files
(179.8 MB)
| Name | Size | Download all |
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md5:80bd1518dcaddcb4c260ae9bdef7e27a
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1.6 MB | Preview Download |
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md5:0a2cbcbb03d5508b80d00c3018ab340c
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1.3 MB | Preview Download |
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md5:99362aff580738cb07e1a09a80f34d8a
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40.2 MB | Preview Download |
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md5:8309cb248d2e1f09e157dd10ba92ce79
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12.3 MB | Preview Download |
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md5:edfc79678c254e6e8ec10a7bc25b2eda
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11.0 MB | Preview Download |
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md5:066af1430ed018a3a6cb933536841951
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341.1 kB | Preview Download |
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md5:770f4e8c7df95f3fc49c0fafada1d0c1
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1.8 MB | Preview Download |
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md5:e34aabbf941bfac45914b92da4d9c735
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15.7 MB | Preview Download |
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md5:d4d4e7810b66a5805b0611117a8f264b
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10.5 MB | Preview Download |
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md5:1f3f2b10c6f8dc67e1f2df5eda9af770
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71.2 MB | Preview Download |
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md5:23d4e920fee378859a38ba99f0d2f53b
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13.8 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://pubchemlite.lcsb.uni.lu/ (URL)
- Software: https://pubchem.ncbi.nlm.nih.gov/classification/#hid=120 (URL)
- Publication: 10.1021/acs.estlett.4c01003 (DOI)
- Publication: 10.1021/acs.est.3c04855 (DOI)