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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>
<small class="dont-index">Source: <a href='https://github.com/jranke/chents/blob/master/R/chent.R'><code>R/chent.R</code></a></small>
<div class="hidden name"><code>pai.Rd</code></div>
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<div class="ref-description">
<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>
</div>
<pre class="usage"><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>
<dl class='dl-horizontal'>
<dt><code>iso</code></dt><dd><p>ISO common name according to ISO 1750 as retreived from www.alanwood.net/pesticides</p></dd>
<dt><code>alanwood</code></dt><dd><p>List of information retreived from www.alanwood.net/pesticides</p></dd>
</dl>
<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'><-</span> <span class='no'>pai</span>$<span class='fu'>new</span>(<span class='st'>"atrazine"</span>)</div><div class='output co'>#> <span class='message'>alanwood.net:</span></div><div class='output co'>#> <span class='message'>Querying atrazine.html</span></div><div class='output co'>#> <span class='message'>PubChem:</span></div><div class='output co'>#> <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/cids/JSON</span></div><div class='output co'>#> <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'>#> <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/synonyms/JSON</span></div><div class='output co'>#> <span class='message'>Trying to get chemical information from RDKit using PubChem_Canonical SMILES</span>
#> <span class='message'>CCNC1=NC(=NC(=N1)Cl)NC(C)C</span></div><div class='output co'>#> <span class='message'>Did not find chyaml file ./atrazine.yaml</span></div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/print'>print</a></span>(<span class='no'>atr</span>)</div><div class='output co'>#> <pai> with ISO common name $iso atrazine
#> <chent>
#> Identifier $identifier atrazine
#> InChI Key $inchikey MXWJVTOOROXGIU-UHFFFAOYSA-N
#> SMILES string $smiles:
#> PubChem_Canonical
#> "CCNC1=NC(=NC(=N1)Cl)NC(C)C"
#> Molecular weight $mw: 215.7
#> PubChem synonyms (up to 10):
#> [1] "2256" "atrazine" "1912-24-9" "Gesaprim" "Chromozin"
#> [6] "Oleogesaprim" "Aktikon" "Argezin" "Atazinax" "Atranex" </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>
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