apset {ChemmineR} | R Documentation |
APset
object
Atom pairs for 100 molecules stored in sdfsample
.
data(apset)
Object of class apset
Object stores atom pairs of 100 molecules.
apset <- sdf2ap(sdfsample)
Chen X and Reynolds CH (2002). "Performance of similarity measures in 2D fragment-based similarity searching: comparison of structural descriptors and similarity coefficients", J Chem Inf Comput Sci.
data(apset) apset[1:4] view(apset[1:4])