chents 0.2-1

An R6 class for pesticidal active ingredients and associated data

Usage

pai

Format

An R6Class generator object

Description

The class is initialised with an identifier which is generally an ISO common name. Additional chemical information is retrieved from the internet.

Fields

iso
ISO common name according to ISO 1750 as retreived from www.alanwood.net/pesticides

alanwood
List of information retreived from www.alanwood.net/pesticides

Examples

atr <- pai$new("atrazine")


Querying atrazine.html
http://eutils.ncbi.nlm.nih.gov/entrez/eutils/esearch.fcgi?retmax=100000&db=pccompound&term=atrazine
http://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?retmax=100000&db=pccompound&ID=2256

print(atr)



<pai> with ISO common name $iso atrazine 
<chent>
Identifier $identifier atrazine 
InChI Key $inchikey MXWJVTOOROXGIU-UHFFFAOYSA-N 
SMILES string $smiles CCNC1=NC(=NC(=N1)Cl)NC(C)C 
Molecular weight $mw: 215.7 
PubChem synonyms (first 10):
 [1] "atrazine"     "1912-24-9"    "Atazinax"     "Atrasine"     "Chromozin"    "Fenatrol"     "Gesaprim"     "Gesoprim"    
 [9] "Hungazin"     "Oleogesaprim"