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Structure Database
Reaction Database
ALD Database
CRN Generator
Chemical Reaction Network Generator [Beta]
ReactInfo
C2H6 -> C2H2 + H2 ! First line: Comments. (The Reactants and Products parts are required, while the Settings part is optional.) 8 ! Second line: The maximum number of atoms in a species. Reactants CC ! Lines below keyword 'Reactants': SMILES of each reactants. Products C#C ! Lines below keyword 'Products': SMILES of each products. [H][H] Settings exclude C ! Setting lines with 'exclude': [optional] Declare the species that should not be accepted. include C=C ! Setting lines with 'include': [optional] Declare the species that must be included in the minimal CRNs. include [CH2-]C randomseed 0 ! Setting line with 'randomseed': [optional] Assign repeatable randomness to the search process of stem CRNs.
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