write.smi: Write a smiles file input data.frame with columns [smiles,...

Description Usage

Description

filter unique compound identifiers

Usage

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write.smi(smi, fname, smiles = "smiles", compound = "compound", fp = NULL,
  data = NULL, seaware_format = T, verbose = F)

momeara/SEAR documentation built on May 23, 2019, 6:09 a.m.