% Generated by roxygen2: do not edit by hand
% Please edit documentation in R/ingredients.R
\name{export_compounds}
\alias{export_compounds}
\title{Export compounds to CSV}
\usage{
export_compounds(
  q = NULL,
  mw_min = NULL,
  mw_max = NULL,
  clogp_min = NULL,
  clogp_max = NULL,
  tpsa_min = NULL,
  tpsa_max = NULL,
  qed_min = NULL,
  qed_max = NULL,
  ring_count_min = NULL,
  ring_count_max = NULL,
  lipinski = NULL,
  is_drug = NULL,
  sort = NULL,
  file = "compounds_export.csv"
)
}
\arguments{
\item{q}{Search query (name, SMILES, formula, or CAS number).}

\item{mw_min, mw_max}{Molecular weight range.}

\item{clogp_min, clogp_max}{CLogP range.}

\item{tpsa_min, tpsa_max}{Topological polar surface area range.}

\item{qed_min, qed_max}{QED score range.}

\item{ring_count_min, ring_count_max}{Ring count range.}

\item{lipinski}{Lipinski rule filter (character vector, comma-collapsed).}

\item{is_drug}{Approved drug filter (logical or \code{NULL}).}

\item{sort}{Sort field (e.g. \code{"mw"}, \code{"-mw"}).}

\item{file}{Output file path (default \code{"compounds_export.csv"}).}
}
\value{
Invisible file path.
}
\description{
Download a CSV export of compounds matching the given filters
(max 10,000 rows).
}
\examples{
\dontrun{
export_compounds(mw_min = 200, file = "filtered_compounds.csv")
}
}
