File: eval.desc.Rd

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% Generated by roxygen2: do not edit by hand
% Please edit documentation in R/desc.R
\name{eval.desc}
\alias{eval.desc}
\title{Compute descriptor values for a set of molecules}
\usage{
eval.desc(molecules, which.desc, verbose = FALSE)
}
\arguments{
\item{molecules}{A `list` of molecule objects}

\item{which.desc}{A character vector listing descriptor class names}

\item{verbose}{If `TRUE`, verbose output}
}
\value{
A `data.frame` with molecules in the rows and descriptors in the columns. If
a descriptor value cannot be computed for a molecule, `NA` is returned.
}
\description{
Compute descriptor values for a set of molecules
}
\author{
Rajarshi Guha (\email{rajarshi.guha@gmail.com})
}