webchem (version 0.0.5.0)

pan_query: Query the PAN Pesticide database

Description

Retrieve information from the PAN database (http://www.pesticideinfo.org/)

Usage

pan_query(query, match = c("all", "first", "best"), verbose = TRUE, ...)

Arguments

query

character; searchterm, e.g. chemical name or CAS.

match

character; match="all" returns all matches, match="first" the first one and match="best" (recommended) the hit with the lowest Levenshtein distance between query and matching synonym.

verbose

logical; should a verbose output be printed on the console?

...

currently not used.

Value

• a named list of 73 entries, see http://www.pesticideinfo.org/Docs/ref_overview.html for more information. If match="best" an additional entry match_score with the normalized Levenshtein distance (0 = perfect match, 1 = worst match).

  CAS Number; U.S. EPAPC Code; CA ChemCode; Use Type; Chemical Class; Molecular Weight; U.S. EPARegistered ; CA Reg Status; PIC; POPs; WHO Obsolete; EPA HAP; CA TAC; Ground Water Contaminant; CA Grnd Water Contam.; Acute Aquatic Toxcity; Chronic Aquatic Toxicity; PAN BadActor Chem; Dirty Dozen; Acute Toxicity Summary; Cholinesterase Inhibitor; Acute rating from U.S. EPA product label; U.S. NTP Acute Toxicity Studies; Material Safety Data Sheets; TRI Acute Hazard; WHO Acute Toxicity; Cancer Rating; U.S. EPA Carcinogens; IARC Carcinogens; U.S. NTP Carcinogens; California Prop 65 Known Carcinogens; TRI Carcinogen; Developmental or Reproductive Toxicity; CA Prop 65 Developmental Toxin; U.S. TRI Developmental Toxin; CA Prop 65 Female Reproductive Toxin; CA Prop 65 Male Reproductive Toxin ; U.S. TRI Reproductive Toxin; Endocrine Disruption; E.U. ED Rating; Benbrook list; Denmark Inert list; Colborn list; Illinois EPA list; Keith list; Water Solubility (Avg, mg/L); Adsorption Coefficient (Koc); Hydrolysis Half-life (Avg, Days); Aerobic Soil Half-life (Avg, Days); Anaerobic Soil Half-life (Avg, Days); Maximum Contaminant Level (MCL) (ug/L); Maximum Contaminant Level Goal (MCLG) (ug/L); One Day Exposure Health Advisory Level (ug/L); Ten Day Exposure Health Advisory Level (ug/L); Reference Dose (ug/kg/day); U.S. Drinking Water Equivalent Level (ug/L); Lifetime Exposure Health Advisory Level (ug/L); Lifetime Estimated Cancer Risk (cases per 1,000,000); Maximum Acceptable Concentration (MAC) (ug/L); Interim Maximum Acceptable Concentration (IMAC) (ug/L); Aesthetic Objectives (ug/L); Fresh Water Quality Criteria Continuous Exposure (ug/L); Fresh Water Quality Criteria Maximum Peak (ug/L); Salt Water Quality Criteria Continuous Exposure (ug/L); Salt Water Quality Criteria Max (ug/L); Human Consumption of Organisms from Water Source (ug/L); Human Consumption of Water and Organisms from Water Source (ug/L); Taste and Odor Criteria (ug/L); Fresh Water Guidelines (ug/L); Salt Water Guidelines (ug/L); Irrigation Water Guidelines (ug/L); Livestock Water Guidelines (ug/L); Chemical Name; matching synonym; source URL

Examples

# might fail if API is not available

 # return all hits
 pan_query('2,4-dichlorophenol')[c(1, 2, 5, 74)]
 # return only first hit
 pan_query('2,4-dichlorophenol', match = 'first')[c(1, 2, 5, 74)]
 # return only best hit
 pan_query('2,4-dichlorophenol', match = 'best')[c(1, 2, 5, 74)]

 # returns NA
 pan_query('xxxxx')

### multiple inputs
comp <- c('Triclosan', 'Aspirin')
# retrive CAS
sapply(comp, function(x) pan_query(x, match = 'best')[['CAS Number']])
# multiple columns
ll <- lapply(comp, function(x) pan_query(x, match = 'best')[c(1, 2, 5, 74)])
do.call(rbind, ll)