Nothing
{
rct1 <- 'CC(C)(O)C(O)C(=O)[O-]>>CC(C(C([O-])=O)=O)C.O'
rct2 <- 'CCC(O)(C)C(C([O-])=O)O>>CCC(C)C(=O)C([O-])=O'
message('Reaction definitions:')
message(paste('Reaction 1:', rct1))
message(paste('Reaction 2:', rct2))
}
readline("\nType <Return>\t to start : ")
{
message('Reaction similarity between rct1 and rct2 (algo = msim): ')
message('Adds 0 similarity score for unpaired O in Rct1.')
sim <- rs.compute(rct1, rct2, verbose = TRUE)
message(sim)
}
readline("\nType <Return>\t to start : ")
{
message('Reaction similarity between rct1 and rct2 using algo msim_max: ')
sim <- rs.compute(rct1, rct2, verbose = TRUE, algo = 'msim_max')
message(sim)
}
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