EPI Suite estimates physical-chemical, fate, and ecotoxicity properties. Search first, then submit a selected chemical.
Search and submit one compound
library(ComptoxR)
hits <- epi_search("benzene")
str(hits, max.level = 1)
epi <- epi_submit(
cas = "71-43-2",
modules = paste(
c("logKow", "biodegradationRate", "bioconcentration",
"atmosphericHalfLife", "ecosar"),
collapse = ","
)
)The result is nested by EPI module. Inspect names before selecting fields.
names(epi$result)
selected <- epi$result[c(
"logKow",
"biodegradationRate",
"bioconcentration",
"atmosphericHalfLife",
"ecosar"
)]
str(selected, max.level = 2)Keep the module name, estimate, units, and any model warnings together. EPI results are screening estimates, not measured values.
Bulk limits
ComptoxR has no package-level bulk wrapper for EPI Suite. For two or
three chemicals, use the small, delayed loop in Chemical Lists and Bulk Workflows. Do
not submit a large vector as if epi_submit() were a bulk
endpoint.