substance_analogs: Search for analogs of the given substances

In momeara/Zr: R client for http://zinc15.docking.org/

Description

Search for analogs of the given substances

Usage

substance_analogs(
  zinc_ids,
  output_fields = c("zinc_id", "smiles", "preferred_name", "purchasability",
    "similarity", "features"),
  fingerprint = "ecfp4_fp",
  similarity = "tanimoto",
  threshold = 30,
  subsets = NULL,
  ref_batch_size = 20 * 10^6,
  ref_page = NULL,
  max_zinc_id = 1.2 * 10^9,
  raw = FALSE,
  verbose = FALSE,
  ...
)

momeara/Zr documentation built on Jan. 11, 2022, 8:11 a.m.