update input/ README

adelenelai · Aug 4, 2022 · 3635ab3 · 3635ab3
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-## COCONUT
-COCONUT_DB_2021-11.smi was downloaded from https://coconut.naturalproducts.net/downloaded on 2022-03-16 and converted to COCONUT_DB_2021.txt by running the following in a UNIX command line:
-
-```
-tr -s '[:blank:]' ',' <COCONUT_DB_2021-11.smi >COCONUT_DB_2021-11.txt
-```
-
-Then, the following header added to COCONUT_DB_2021-11.txt: "SMILES, Name"
-
-
-
-## NORMAN-SLE
-pubchem_norman_sle_tree_parentcid_98116_2022-03-21_from115115.csv was downloaded from the PubChem Classification Browser's 'NORMAN Suspect List Exchange Classification' https://pubchem.ncbi.nlm.nih.gov/classification/#hid=101 on 2022-03-21 after conversion into CIDs using Operator Type: ‘Parent CID’ in the PubChem Identifier Exchange Service via Entrez to remove salts, charged ions, and mixtures. Further details in the publication.
-
-
-
-##PubChemLite for Exposomics
-PubChemLite_exposomics_20220225.csv was downloaded from https://zenodo.org/record/6383860. The copy of this file is unchanged from the Zenodo record, just provided here for completeness.
+The datasets here are smaller samples of the full versions available on Zenodo: https://zenodo.org/record/6958827