Prioritizing Chemicals for Risk Assessment Using Chemoinformatics: Examples from the IARC Monographs on Pesticides

Table 1. High-ranking organophosphate, organochlorine, and chlorophenoxy pesticides identified using a chemoinformatics approach.
Name Rank PubMed cancer hits PubMed human cancer hits IARC advisory group priority Notes, including other classifications Usage notes Prior IARC classification (year) 2015 IARC classification
Abbreviations: DDT, p,p′-dichlorodiphenyltrichloroethane; POP, persistent organic pollutant; RoC-RA, reasonably expected to be a human carcinogen.
aFor a description of U.S. EPA cancer classifications, see bSeverely banned or restricted for health or environmental reasons (Rotterdam Convention, Annex III; cAmong the most commonly used OP insecticides in all U.S. market sectors 2001–2007 ( dAmong the most commonly used conventional pesticide active ingredients in the United States ( eMany domestic and other uses of dichlorvos in the United States have been discontinued (U.S. EPA 1995). fMost commonly used conventional pesticides in the agricultural sector (glyphosate) or non-agricultural (2,4-D) market sectors ( gListed as a POP under the Stockholm Convention ( hListed as “reasonably expected to be a human carcinogen” in the U.S. Report on Carcinogens (
Parathion 1 42 6 U.S. EPA Group C (1991)a Restrictedb 3 (1987) 2B
Malathion 2 40 12 High U.S. EPA Suggestive (2000)a Highc 3 (1987) 2A
Chlorpyrifos 3 38 14 Medium U.S. EPA Group E (1993)a Highc,d 3 (1987)
Dichlorvos 4 35 12 U.S. EPA Suggestive (2000)a Some current usese 2B (1991)
Diazinon 5 30 16 High U.S. EPA Not likely (1997)a Highc None 2A
Glyphosate 7 21 9 Medium U.S. EPA Group C (1985), Group E (1991)a Highd,f None 2A
Tetrachlorvinphos 13 6 1 U.S. EPA Likely (2002)a Currently used 3 (1987) 2B
DDT 1 494 190 Medium POPg, RoC-RAh Restrictedb 2B (1991) 2A
Lindane 2 189 51 High POPg, RoC-RAh; U.S. EPA Suggestive (2001)a Restrictedb 2B (1987) 1
Dieldrin 3 151 57 POPg Restrictedb 3 (1987)
Aldrin 7 56 25 POPg Restrictedb 3 (1987)
2,4-Dichlorophenoxy acetic acid 1 145 84 U.S. EPA Group D (2004)a Highd,e None 2B