iqspr (version 1.1)

genENgram: generate SMILES strings from extended N-gram model

Description

generate SMILES strings from extended N-gram model

Usage

genENgram(nsmis, engram, order, gentype = "ML", crange = c(10, 100))

Arguments

nsmis

number of generating SMILES strings

engram

ENgram object

order

n in ENgram model

gentype

Back-off procedure with "ML" option and Neaser-Nay smoothing with "KN" option

crange

range in the length of output SMILES strings

Examples

# NOT RUN {
data(engram_5k)
smiles <- genENgram(4, engram_5k, 10)
viewstr(smiles)

# }