Data for environmental risk assessment of plant protection products
Format
A number of tables collected in a dm::dm object
Examples
library(derappp)
library(dplyr, warn.conflicts = FALSE)
dm::dm_draw(derappp)
# The list of chemical entities ("chents")
derappp$chents
#> # A tibble: 378 × 8
#> chent ai iso mw smiles pubchem inchikey bcpc_activity
#> <chr> <lgl> <chr> <dbl> <chr> <int> <chr> <chr>
#> 1 (10Z)-Heptadec-10-en… TRUE NA 308. "CCCC… NA NA NA
#> 2 (11Z)-Eicos-11-enoic… TRUE NA 350. "CCCC… NA NA NA
#> 3 (9Z)-Hexadec-9-enoic… TRUE NA 294. "CCCC… NA NA NA
#> 4 (9Z)-Octadec-9-enoic… TRUE NA 322. "CCCC… 2.08e7 MLICVSD… NA
#> 5 (9Z,12Z)-Octadeca-9,… TRUE NA 320. "CCCC… NA NA NA
#> 6 (9Z,12Z,15Z)-Octadec… TRUE NA 318. "CC/C… NA NA NA
#> 7 1-Decanol TRUE NA 158. "CCCC… 8.17e3 MWKFXSU… NA
#> 8 1-Methylcyclopropene TRUE NA 54.1 "CC1=… 1.51e5 SHDPRTQ… plant growth…
#> 9 1-Naphthylacetic acid TRUE NA 186. "C1=C… 6.86e3 PRPINYU… NA
#> 10 1-Naphthylacetic aci… TRUE NA 208. "C1=C… 2.37e7 CJUUXVF… NA
#> # ℹ 368 more rows
# Some vapor pressures and water solubilities
# We need to convert to °C if we do not want Kelvin
library(units)
#> udunits database from /usr/share/xml/udunits/udunits2.xml
derappp$p0[1:2, ] |>
mutate(T = set_units(T, "°C"))
#> # A tibble: 2 × 8
#> substance sign p0 T purity sk page comment
#> <chr> <lgl> [Pa] [°C] <chr> <chr> <int> <chr>
#> 1 Acetamiprid NA 0.000000173 50 ≥99.9% j.efsa.2016.4610_LoEP 2 NA
#> 2 Captan NA 0.0000042 20 99.8% j.efsa.2020.6230_LoEP 3 NA
derappp$p0[1, ] |>
left_join(derappp$sources, by = "sk") |>
select(substance, p0, T, reference)
#> # A tibble: 1 × 4
#> substance p0 T reference
#> <chr> [Pa] [K] <chr>
#> 1 Acetamiprid 0.000000173 323. "EFSA. _Appendix to: Peer review of the pesticid…
derappp$cwsat[1:3, ] |>
left_join(derappp$sources, by = "sk") |>
select(substance, cwsat, T, pH, reference) |>
mutate(cwsat = set_units(cwsat, "g/L")) |>
mutate(T = set_units(T, "°C"))
#> # A tibble: 3 × 5
#> substance cwsat T pH reference
#> <chr> [g/L] [°C] <dbl> <chr>
#> 1 Acetamiprid 4.25 25 5 "EFSA. _Appendix to: Peer review of the pesticid…
#> 2 Acetamiprid 2.95 25 7 "EFSA. _Appendix to: Peer review of the pesticid…
#> 3 Acetamiprid 3.96 25 9 "EFSA. _Appendix to: Peer review of the pesticid…
# Join names used in the Swiss register
derappp$chents |>
left_join(derappp$substance_keys, by = c(chent = "substance")) |>
filter(db == "srppp") |>
left_join(srppphist::srppp_active_substances, by = c(key = "pk")) |>
select(chent, iso, smiles, substance_de)
#> # A tibble: 382 × 4
#> chent iso smiles substance_de
#> <chr> <chr> <chr> <chr>
#> 1 1-Decanol NA CCCCCCCCCCO 1-Decanol
#> 2 1-Decanol NA CCCCCCCCCCO 1-Decanol
#> 3 1-Naphthylacetic acid NA C1=CC=C2C(=C1)C=CC=C2CC(=O)O 1-Naphthylac…
#> 4 1-Naphthylacetic acid NA C1=CC=C2C(=C1)C=CC=C2CC(=O)O 1-Naphthylac…
#> 5 2,4-D 2,4-D C1=CC(=C(C=C1Cl)Cl)OCC(=O)O 2,4-D
#> 6 2,4-D 2,4-D C1=CC(=C(C=C1Cl)Cl)OCC(=O)O 2,4-D
#> 7 2-(1-Naphthyl) acetamide NA C1=CC=C2C(=C1)C=CC=C2CC(=O)N 2-(1-naphthy…
#> 8 2-(1-Naphthyl) acetamide NA C1=CC=C2C(=C1)C=CC=C2CC(=O)N 1-Naphthylac…
#> 9 2-(1-Naphthyl) acetamide NA C1=CC=C2C(=C1)C=CC=C2CC(=O)N 1-Naphthylac…
#> 10 6-Benzyladenine NA C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3 6-benzyladen…
#> # ℹ 372 more rows
# Show some soil sorption data with units, use percent for readability
derappp$soil_sorption |>
filter(substance %in% c("Acetamiprid", "Captan", "Copper", "Cyprodinil")) |>
mutate(f_oc = set_units(f_oc, "%")) |>
select(substance, soil_pH, f_oc, Koc, Kfoc, n, sk, selected, reason) |>
print(n = Inf)
#> # A tibble: 10 × 9
#> substance soil_pH f_oc Koc Kfoc n sk selected reason
#> <chr> <dbl> [%] [L/kg] [L/kg] <dbl> <chr> <lgl> <chr>
#> 1 Acetamiprid 5.7 0.43 NA 138. NA j.efsa.2016.46… NA EFSA …
#> 2 Acetamiprid 7.6 1.04 NA 130. NA j.efsa.2016.46… NA EFSA …
#> 3 Acetamiprid 7.1 1.57 NA 71.1 NA j.efsa.2016.46… NA EFSA …
#> 4 Acetamiprid 7.7 1.39 NA 122. NA j.efsa.2016.46… NA EFSA …
#> 5 Acetamiprid 7.1 4.39 NA 71.4 NA j.efsa.2016.46… NA EFSA …
#> 6 Captan NA NA 76.8 NA 6 j.efsa.2020.62… NA EFSA …
#> 7 Cyprodinil 5.6 NA NA 2098. NA j.efsa.2025.92… NA EFSA …
#> 8 Cyprodinil 6.7 NA NA 1794. NA j.efsa.2025.92… NA EFSA …
#> 9 Cyprodinil 7.3 NA NA 1593 NA j.efsa.2025.92… NA EFSA …
#> 10 Cyprodinil 7 NA NA 1678. NA j.efsa.2025.92… NA EFSA …
# Show some soil degradation data with units
derappp$soil_degradation |>
select(substance, DT50, kinetics, alpha, beta, k1, k2, g, tb, sk) |>
print(n = 10)
#> # A tibble: 91 × 10
#> substance DT50 kinetics alpha beta k1 k2 g tb sk
#> <chr> [d] <chr> [1] [1/d] [1/d] [1/d] [1] [d] <chr>
#> 1 Amisulbrom 12.6 SFO NA NA NA NA NA NA j.efsa.20…
#> 2 Azoxystrobin 262 SFO NA NA NA NA NA NA j.efsa.20…
#> 3 Benalaxyl 128. SFO NA NA NA NA NA NA j.efsa.20…
#> 4 Bixafen 3014 HS NA NA 0.0081 0.00023 NA 53 j.efsa.20…
#> 5 Boscalid 227. SFO NA NA NA NA NA NA Boscalid_…
#> 6 Bupirimate 119. FOMC 1.12 58.4 NA NA NA NA j.efsa.20…
#> 7 Buprofezin 166. SFO NA NA NA NA NA NA j.efsa.20…
#> 8 Carbendazim 78 SFO NA NA NA NA NA NA j.efsa.20…
#> 9 Chloridazon 78.5 SFO NA NA NA NA NA NA j.efsa.20…
#> 10 Chlorotoluron 107. SFO NA NA NA NA NA NA Chlorotol…
#> # ℹ 81 more rows
# Some aquatic toxicity data with units
head(derappp$aquatic_toxicity) |>
select(substance, formulation, derappp_species, duration, effect, level, sign, value)
#> # A tibble: 6 × 8
#> substance formulation derappp_species duration effect level sign value
#> <chr> <chr> <chr> [d] <chr> <chr> <chr> [mg/…
#> 1 1-Naphthylaceti… NA Cyprinus carpio 4 morta… EC50 > 56
#> 2 1-Naphthylaceti… NA Cyprinus carpio 4 morta… EC50 < 100
#> 3 1-Naphthylaceti… 1-Naphthyl… Cyprinus carpio 4 morta… EC50 > 82
#> 4 1-Naphthylaceti… NA Oncorhynchus m… 4 morta… EC50 = 75
#> 5 1-Naphthylaceti… Spollonant… Oncorhynchus m… 4 morta… EC50 = 37
#> 6 1-Naphthylaceti… NA Oncorhynchus m… 28 growth NOEC = 10
# Species groupings and taxonomic IDs
derappp$species
#> # A tibble: 204 × 7
#> species group derappp_species ott_id is_synonym flags salt_water_species
#> <chr> <chr> <chr> <int> <lgl> <chr> <lgl>
#> 1 Acipenser t… Fish Acipenser tran… 3.79e5 FALSE "" FALSE
#> 2 Americamysi… Aqua… Americamysis b… 3.34e5 FALSE "" TRUE
#> 3 American fl… Fish Jordanella flo… 8.23e4 FALSE "" FALSE
#> 4 American wa… Aqua… Elodea canaden… 1.07e6 FALSE "" FALSE
#> 5 Amphiascus … Aqua… Amphiascus ten… 5.95e5 FALSE "" FALSE
#> 6 Anabaena fl… Aqua… Dolichospermum… 3.69e5 FALSE "sib… FALSE
#> 7 Anabaena fl… Aqua… Dolichospermum… 3.69e5 FALSE "sib… FALSE
#> 8 Anabaena va… Aqua… Trichormus var… 5.24e5 TRUE "inc… FALSE
#> 9 Ankistrodes… Aqua… Ankistrodesmus… 7.28e5 FALSE "" FALSE
#> 10 Aphanizomen… Aqua… Aphanizomenon … 8.94e5 FALSE "sib… FALSE
#> # ℹ 194 more rows