Search for libraries
#2211
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Dear, is there any tool to check the occurrence of a compound in RMG libraries (thermo, reaction, kinetics...)? I would like to search from smiles. |
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Answered by
mefuller
Dec 23, 2021
Replies: 1 comment
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This may be accomplished on the RMG website for individual species: If you are looking to automate searching, perhaps with a long list of compounds, I know this should be possible, but have not personally implemented it |
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Answer selected by
JacksonBurns
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This may be accomplished on the RMG website for individual species:
https://rmg.mit.edu/molecule_search
https://rmg.mit.edu/database/kinetics/search/
If you are looking to automate searching, perhaps with a long list of compounds, I know this should be possible, but have not personally implemented it