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Global-Chem: A Chemical Knowledge Graph of common small molecules and their IUPAC/SMILES/SMARTS for selection of compounds relevant to diverse chemical communities

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 22 Aug 2022Publisher:Zenodo
Authors: Sharif, Suliman; Liu, Ruibin; Orr, Asuka A.; Khavrutskii, Daniel; Jo, Sunhwan; Lier, Bettina; Croitoru, Anastasia; +16 Authors

doi: 10.5281/zenodo.3823380 , 10.5281/zenodo.7046519 , 10.5281/zenodo.7337935 , 10.5281/zenodo.7029446

Global-Chem: A Chemical Knowledge Graph of common small molecules and their IUPAC/SMILES/SMARTS for selection of compounds relevant to diverse chemical communities

Abstract

Bugs and Fixes Changes Implemented: Bit Vectors have been removed as a core functionality. Standard fingerprints haven't been achieved yet and not yet worthwhile to store as fixed data. Alternative Jet Fuels have been added in the Environment Section for SMILES and SMARTS The FDA Colour Additive Bot Bug has been fixed where it was reading in the first row as data and not as headers. READMEs in other languages have moved to its own directory Social Guidelines like code of conduct and contributing guidelines have been moved to the social guidelines directory. The main README has been updated to be more focused on just the core network itself.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
views
OpenAIRE UsageCountsViews provided by UsageCounts
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9