get_smiles: get SMILES strings from the SmcChem object

Description Usage Arguments Examples

Description

get SMILES strings from the SmcChem object

Usage

1
get_smiles(smchem)

Arguments

smchem

SmcChem class object

Examples

1
2
3
4
5
6
data(engram_5k) 
data(qsprpred_EG_5k)
smchem <- SmcChem$new(smis = rep("c1ccccc1O", 25), v_qsprpred=qsprpred_EG_5k,
                     v_engram=engram_5k,temp=3)
smcexec(smchem, niter=5, preorder=0, nview=4)
get_smiles(smchem)


Search within the iqspr package
Search all R packages, documentation and source code

Questions? Problems? Suggestions? or email at ian@mutexlabs.com.

Please suggest features or report bugs with the GitHub issue tracker.

All documentation is copyright its authors; we didn't write any of that.