Padel — chemi_padel_bulk • ComptoxR

Usage

chemi_padel_bulk(
  query,
  x2d = TRUE,
  x3d = FALSE,
  fp = FALSE,
  headers = FALSE,
  timeout = NULL,
  output = c("wide", "raw")
)

Arguments

query: Chemical structures or resolvable identifiers
x2d: Calculate two-dimensional descriptors
x3d: Calculate three-dimensional descriptors
fp: Calculate fingerprints
headers: Request descriptor headers
timeout: Optional upstream calculation timeout
output: Output contract: validated wide tibble or raw payload

Value

Returns a tibble with results

API stage

This wrapper was generated from the public API schema.

Examples

if (FALSE) { # \dontrun{
chemi_padel_bulk(query = "DTXSID1024122")
} # }