exactMassOB {ChemmineR} | R Documentation |
Computes the exact mass of each compound given.
exactMassOB(sdfset)
sdfset |
Any SDFset object. |
A vector of mass values.
Kevin Horan
## Not run: library(ChemmineR) data(sdfsample) mass = exactMassOB(sdfsample) ## End(Not run)