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Published August 22, 2022 | Version 1.7.0.1
Software Open

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

Description

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.

Notes

If you use this software or data, please cite it as below.

Files

Sulstice/global-chem-v.1.8.0.zip

Files (59.2 MB)

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md5:79e7eb444e9bfb8b7585e509b71f25ce
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Additional details

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