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Canonicalize SMILES

Source: R/util.R
as_canonical.Rd

Convert SMILES to canonical form.

Usage

as_canonical(smiles)

Arguments

smiles

Character vector of SMILES.

Value

Character vector of canonical SMILES.

Examples

as_canonical(c("CCO", "C(C)O"))
#> [1] "OCC" "OCC"