iqspr (version 1.1)

predict: predict properties with forward QSPR model

Description

predict properties with forward QSPR model

Usage

predict(qsprpred, smis)

Arguments

qsprpred

QSPRpred class object

smis

SMILES strings

Examples

# NOT RUN {
data(qsprpred_EG_5k)
predict(qsprpred_EG_5k, c("c1ccccc1O", "c1ccccc1F"))

# }