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<title>An R6 class for pesticidal active ingredients and associated data — pai • chents</title>

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    <h1>An R6 class for pesticidal active ingredients and associated data</h1>
    </div>

    
    <p>The class is initialised with an identifier which is generally an ISO common name.
Additional chemical information is retrieved from the internet if available.</p>
    

    <pre><span class='no'>pai</span></pre>
        
    <h2 class="hasAnchor" id="format"><a class="anchor" href="#format"></a>Format</h2>

    <p>An <code>R6Class</code> generator object</p>
    
    <h2 class="hasAnchor" id="fields"><a class="anchor" href="#fields"></a>Fields</h2>

    <p></p>
    <p><dl class='dl-horizontal'>
<dt><code>iso</code></dt><dd>ISO common name according to ISO 1750 as retreived from www.alanwood.net/pesticides</dd></p>
    <p><dt><code>alanwood</code></dt><dd>List of information retreived from www.alanwood.net/pesticides</dd>
</dl></p>
    

    <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
    <pre class="examples"><div class='input'><span class='no'>atr</span> <span class='kw'>&lt;-</span> <span class='no'>pai</span>$<span class='fu'>new</span>(<span class='st'>"atrazine"</span>)</div><div class='output co'>#&gt; <span class='message'>alanwood.net:</span></div><div class='output co'>#&gt; <span class='message'>Querying atrazine.html</span></div><div class='output co'>#&gt; <span class='message'>PubChem:</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/cids/JSON</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/property/MolecularFormula,MolecularWeight,CanonicalSMILES,IsomericSMILES,InChI,InChIKey,IUPACName,XLogP,TPSA,Complexity,Charge,HBondDonorCount,HBondAcceptorCount/JSON</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/synonyms/JSON</span></div><div class='output co'>#&gt; <span class='message'>Trying to get chemical information from RDKit using PubChem_Canonical SMILES</span>
#&gt; <span class='message'>CCNC1=NC(=NC(=N1)Cl)NC(C)C</span></div><div class='output co'>#&gt; <span class='message'>Did not find chyaml file ./atrazine.yaml</span></div><div class='input'><span class='fu'>print</span>(<span class='no'>atr</span>)</div><div class='output co'>#&gt; &lt;pai&gt; with ISO common name $iso atrazine 
#&gt; &lt;chent&gt;
#&gt; Identifier $identifier atrazine 
#&gt; InChI Key $inchikey MXWJVTOOROXGIU-UHFFFAOYSA-N 
#&gt; SMILES string $smiles:
#&gt;            PubChem_Canonical 
#&gt; &quot;CCNC1=NC(=NC(=N1)Cl)NC(C)C&quot; 
#&gt; Molecular weight $mw: 215.7 
#&gt; PubChem synonyms (up to 10):
#&gt;  [1] &quot;2256&quot;         &quot;atrazine&quot;     &quot;1912-24-9&quot;    &quot;Atranex&quot;      &quot;Fenatrol&quot;    
#&gt;  [6] &quot;Atred&quot;        &quot;Oleogesaprim&quot; &quot;Atazinax&quot;     &quot;Atrasine&quot;     &quot;Chromozin&quot;   </div></pre>
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    <h2>Contents</h2>
    <ul class="nav nav-pills nav-stacked">
      
      <li><a href="#format">Format</a></li>

      <li><a href="#fields">Fields</a></li>
      
      <li><a href="#examples">Examples</a></li>
    </ul>

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