rdbe | R Documentation |
Calculate the rings plus double bonds equivalent (RDBE) for molecular formulas.
rdbe( element_frequencies, valences = list(C = 4, H = 1, N = 3, O = 2, P = 3, S = 4) )
element_frequencies |
table of element frequencies for a set of molecular formulas as returned by |
valences |
named list of element valences |
A vector of RDBE values.
element_frequencies <- elementFrequencies(c('C12H22O11','C12H22NO11')) rdbe(element_frequencies)
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