Generate NCC categories for one molecule — chemi_ncc_cats • ComptoxR

Usage

chemi_ncc_cats(smiles, logp = NULL, ws = NULL)

Arguments

smiles: SMILES to generate NCC categories for
logp: Octanol-water partition coefficient
ws: Water solubility (mg/L)

Value

Returns a list with result object

API stage

This wrapper was generated from the public API schema.

Examples

if (FALSE) { # \dontrun{
chemi_ncc_cats(smiles = "DTXSID7020182")
} # }