\name{ap} \alias{ap} \alias{ap-methods} \title{ Return atom pair component of \code{AP/APset} } \description{ Returns atom pair component of objects of class \code{AP} or \code{APset} as list of vectors. } \usage{ ap(x) } \arguments{ \item{x}{ Object of class \code{AP} and \code{APset} } } \details{ ... } \value{ \item{List}{ with one to many of following components:} \item{numeric}{ atom pairs } } \references{ 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. } \author{ Thomas Girke } \seealso{ Functions: \code{SDF2apcmp}, \code{apset2descdb}, \code{cmp.search}, \code{cmp.similarity} } \examples{ ## Instance of SDFset class data(sdfsample) sdfset <- sdfsample[1:50] sdf <- sdfset[[1]] ## Compute atom pair library ap <- sdf2ap(sdf) (apset <- sdf2ap(sdfset)) view(apset[1:4]) ## Return main components of APset object cid(apset[1:4]) # compound IDs ap(apset[1:4]) # atom pair descriptors ## Return atom pairs in human readable format db.explain(apset[1]) } \keyword{ utilities }