diff options
Diffstat (limited to 'docs/llms.txt')
| -rw-r--r-- | docs/llms.txt | 12 |
1 files changed, 5 insertions, 7 deletions
diff --git a/docs/llms.txt b/docs/llms.txt index 28cceea..461f225 100644 --- a/docs/llms.txt +++ b/docs/llms.txt @@ -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) ```  |