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| author | Johannes Ranke <johannes.ranke@jrwb.de> | 2026-03-13 13:22:03 +0100 |
|---|---|---|
| committer | Johannes Ranke <johannes.ranke@jrwb.de> | 2026-03-13 13:22:03 +0100 |
| commit | 0be378ede2f5b83c2451a57d1131288ff52685ea (patch) | |
| tree | d93fe8be1f2635d1ec3d3828e12b812e102ec640 /docs/index.md | |
| parent | a5e851a5d81194bef25c3f3a32e355e5795cdde1 (diff) | |
Update online docs
Diffstat (limited to 'docs/index.md')
| -rw-r--r-- | docs/index.md | 12 |
1 files changed, 5 insertions, 7 deletions
diff --git a/docs/index.md b/docs/index.md index 7861205..818af8a 100644 --- a/docs/index.md +++ b/docs/index.md @@ -64,14 +64,12 @@ which starts with querying the [BCPC compendium](http://www.bcpcpesticidecompendium.org/) first. ``` r -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) ```  |