From 0be378ede2f5b83c2451a57d1131288ff52685ea Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Fri, 13 Mar 2026 13:22:03 +0100 Subject: Update online docs --- docs/index.html | 12 +++++------- 1 file changed, 5 insertions(+), 7 deletions(-) (limited to 'docs/index.html') diff --git a/docs/index.html b/docs/index.html index aec7d06..ec6ba42 100644 --- a/docs/index.html +++ b/docs/index.html @@ -81,14 +81,12 @@

If you have a so-called ISO common name of a pesticide active ingredient, you can use the ‘pai’ class derived from the ‘chent’ class, which starts with querying the BCPC compendium first.

-lambda <- pai$new("lambda-cyhalothrin")
-#> Querying BCPC for lambda-cyhalothrin ...
-#> Querying PubChem for name lambda-cyhalothrin ...
+delta <- pai$new("deltamethrin")
+#> Querying BCPC for deltamethrin ...
+#> Querying PubChem for inchikey OWZREIFADZCYQD-NSHGMRRFSA-N ...
 #> Get chemical information from RDKit using PubChem SMILES
-#> CC1([C@@H]([C@@H]1C(=O)O[C@@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(/C(F)(F)F)\Cl)C
-#> Warning in self$get_rdkit(template = template): RDKit mw is 449.856 while mw is
-#> 449.8
-plot(lambda)
+#> CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C +plot(delta)

Additional information can be read from a local .yaml file. This information can be leveraged e.g. by the PEC_soil function of the ‘pfm’ package. However, this functionality is to be superseded by a dedicated package, defining data for the environmental risk assessment on chemicals, in particular on active ingredients of plant protection products.

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