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Data · dataset · 2022

monobactams

Listed in DataCite

Archive of monobactams containing sub-folders named after each compound and its net charge.

Description

Every compound's folder contains a total of 20 files distributed into three sub-directories reporting QM (QM/), FF (FF/), and MD (MD/) data.

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Related

Provenance · 1 source records, 11 field assertions
SourceKeyLast seenRaw
DataCite10.6084/m9.figshare.172122898 d agoJSON v1
FieldAssertionExtractorEvidence
access_levelsource · DataCiteconnector:datacite@1.0.0/data/attributes/rightsList
byte_sizesource · DataCiteconnector:datacite@1.0.0
concepts[field].anzsrc:group:3404enrichment · DataCitetaxonomy-embedding@1.1.0title+keywords+description (72%)
concepts[field].fos:basic-medicinesource · DataCiteconnector:datacite@1.0.0
concepts[field].fos:chemical-sciencessource · DataCiteconnector:datacite@1.0.0
created_datesource · DataCiteconnector:datacite@1.0.0
descriptionsource · DataCiteconnector:datacite@1.0.0/data/attributes/descriptions
licensesource · DataCiteconnector:datacite@1.0.0/data/attributes/rightsList
publication_datesource · DataCiteconnector:datacite@1.0.0/data/attributes/dates
titlesource · DataCiteconnector:datacite@1.0.0/data/attributes/titles/0/title
updated_datesource · DataCiteconnector:datacite@1.0.0