A chemoinformatics approach for identifying priority agents for cancer hazard evaluation: The IARC monographs and pesticides Dinesh Kumar Barupal 17520 Track Disclosure of Interest: None Declared www.worldcancercongress.org 1. Evaluation of carcinogenic potency of hazards using available published data as implemented by IARC monographs programme is a core component of cancer prevention strategies. 2. Thousands of different types of chemicals are used as pesticides. Humans can be exposed to them via various routes such as farming, consumption of fruits, in-house use etc. And, exposure to some pesticides such as rotenone can cause cancer in animal models. 3. A large volume of literature and bioassay data are available on pesticide chemicals. A computational background prioritization approach can suggest candidates to be considered for the evaluation by IARC monographs Overview of the prioritization approach. - Automated retrieval of information for hundreds of pesticides using codes in R/JavaScript and web-APIs - Cytoscape allowed meaningful network visualization of chemical diversity. - Optimized thresholds for cluster detection. Methods - Web-deployment - Approach can be extended to any chemical class. Global view of pesticides chemical diversity Graph theory detection of clusters ResultsI - Node size = counts of epidemiological papers Node color = counts of animal studies papers Node border color = counts of PubChem BioAssays Cluster level ranking of pesticides A focused network of organophosphates pesticides Chemical Class Pesticides in ranking order Amide/Anilide_mixed Biphenyl ; Metolachlor ; Alachlor ; Phenoxy and OP DDT ; 2,4,5-Trichlorophenoxyacetic acid ; Hexachlorobenzene Pyrethroid Carbaryl ; Coumaphos ; Permethrin ; Rotenone Phenylurea Linuron ; Procymidone ; Diphenylamine ; Chlorpropham Sulfonylurea Azoxystrobin ; Fluoxastrobin Pyrazole/Phenoxy Chlorpyrifos ; Fludioxonil ; Isoxaben Organophosphorus Malathion ; Terbufos ; Dichlorvos Amide/Anilide Benomyl ; Thiabendazole ; Carbendazim Phenylurea Oxadiazon ; Oxolinic acid ; Benoxacor Conazole Propiconazole ; Triadimenol ; Diniconazole Pyrimidine Fenarimol ; Picloram ; Imazethapyr ; Carbamate Carbofuran ; Bromoxynil ; Malonoben ; Triazine Atrazine ; Simazine ; Cyanazine ; Organophosphorus Methidathion ; Dimethoate Bipyridinium Paraquat ; Fluazinam ; Chlorfenapyr ; Thiocarbamate EPTC ; Butylate ; Pebulate ; Octhilinone ; ResultsII - Nitrophenol Parathion ; Dinoseb ; EPN ; DNOC ; Dinobuton Dinitroaniline Pendimethalin ; Trifluralin ; Ethalfluralin ; Oryzalin Organochlorine Chlordane ; Toxaphene ; Dieldrin ; Aldrin Diphenyl ether Lactofen ; Nitrofen ; Oxyfluorfen Others Oxytetracycline ; Oxytetracycline hydrochloride Pyrazole Tebufenpyrad ; Difenzoquat metilsulfate Pyrethroid S-Bioallethrin ; Bioallethrin ; Methoprene Organophosphorus Diazinon ; Bupirimate Dithiocarbamate Maneb ; Zineb Organophosphorus Glyphosate - A chemo-informatics approach is developed to rank chemicals that can be suggested to IARC monographs programme. - Use of approach on pesticides allowed an useful ranking of pesticides for the evaluation process. Conclusions .