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
Authors/Creators
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Sharif, Suliman
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Liu, Ruibin
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Orr, Asuka A.
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Khavrutskii, Daniel
- Jo, Sunhwan
- Lier, Bettina
- Croitoru, Anastasia
- Burke, Chris
- Frank, Aziza
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Weiner, Jacob
- McClean, Nathaniel
- Romany, Aarion
- Zhao, Mingtian
- Serizawa, Takayuki
- Deacon, Jared
- Jones, Ian
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Zhan, Shaoqi
- Kumar, Anmol
- Woster, Mike
- Pinette-Dorin, Rebecca
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Chow, Elena Y.
- Schulhoff, Sevien
- MacKerell Jr., Alexander D.
Description
- added snake venom
- paper
- fixed bugs and patched.
Notes
If you use this software or data, please cite it as below.
Files
Sulstice/global-chem-v1.7.3.2.zip
Files
(58.7 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:54d4e28e0b76b33ce4537955341aecd5
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58.7 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/Sulstice/global-chem/tree/v1.7.3.2 (URL)