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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.html | |
| parent | a5e851a5d81194bef25c3f3a32e355e5795cdde1 (diff) | |
Update online docs
Diffstat (limited to 'docs/index.html')
| -rw-r--r-- | docs/index.html | 12 |
1 files changed, 5 insertions, 7 deletions
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 @@ <p><img src="reference/figures/README-unnamed-chunk-4-1.png"><!-- --></p> <p>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 <a href="http://www.bcpcpesticidecompendium.org/" class="external-link">BCPC compendium</a> first.</p> <div class="sourceCode" id="cb4"><pre class="downlit sourceCode r"> -<code class="sourceCode R"><span><span class="va">lambda</span> <span class="op"><-</span> <span class="va"><a href="reference/pai.html">pai</a></span><span class="op">$</span><span class="fu">new</span><span class="op">(</span><span class="st">"lambda-cyhalothrin"</span><span class="op">)</span></span> -<span><span class="co">#> Querying BCPC for lambda-cyhalothrin ...</span></span> -<span><span class="co">#> Querying PubChem for name lambda-cyhalothrin ...</span></span> +<code class="sourceCode R"><span><span class="va">delta</span> <span class="op"><-</span> <span class="va"><a href="reference/pai.html">pai</a></span><span class="op">$</span><span class="fu">new</span><span class="op">(</span><span class="st">"deltamethrin"</span><span class="op">)</span></span> +<span><span class="co">#> Querying BCPC for deltamethrin ...</span></span> +<span><span class="co">#> Querying PubChem for inchikey OWZREIFADZCYQD-NSHGMRRFSA-N ...</span></span> <span><span class="co">#> Get chemical information from RDKit using PubChem SMILES</span></span> -<span><span class="co">#> 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</span></span> -<span><span class="co">#> Warning in self$get_rdkit(template = template): RDKit mw is 449.856 while mw is</span></span> -<span><span class="co">#> 449.8</span></span> -<span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">lambda</span><span class="op">)</span></span></code></pre></div> +<span><span class="co">#> 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</span></span> +<span><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">delta</span><span class="op">)</span></span></code></pre></div> <p><img src="reference/figures/README-unnamed-chunk-5-1.png"><!-- --></p> <p>Additional information can be read from a local .yaml file. This information can be leveraged e.g. by the <a href="https://pkgdown.jrwb.de/pfm/reference/PEC_soil.html" class="external-link">PEC_soil</a> 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.</p> <div class="section level2"> |