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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 Methods background 3. 2. 1.

monographs monographs by IARC for the evaluation to considered be candidates suggest can approach prioritization some to as rotenone such pesticides exposure And, etc. use in-house fruits, of consumption farming, as such routes various via strategies. prevention of cancer component is a core programme IARC monographs A volume large types different of Thousands Evaluation of carcinogenic potency of hazards using available published data as implemented by by implemented as data published available using hazards of potency carcinogenic of of literature and bioassay data are available on pesticide chemicals. chemicals. pesticide on available are data bioassay and of literature A computational can cause cause can of chemicals are used as pesticides as used are chemicals of cancer in animal models. models. animal in cancer - - - - - class. class. diversity. of chemical visualization web-APIs and R/JavaScript in codes using of pesticides Approach can be extended to any chemical to chemical any extended be can Approach Web-deployment for detection. cluster thresholds Optimized Cytoscape for hundreds of information retrieval Automated Overview of the prioritization approach. approach. of the prioritization Overview . Humans Humans . allowed meaningful network network meaningful allowed can be exposed be can to them them to Results - I Global view of pesticides chemical diversity diversity chemical of pesticides view Global Node size = counts of epidemiological papers papers size = of counts epidemiological Node BioAssays border Node Node color

= counts of animal studies papers papers studies = of counts animal color = of counts PubChem

Graph theory detection of clusters detection theory Graph Conclusions Results - II - - of pesticides ranking level Cluster Organophosphorus Dithiocarbamate Organophosphorus Pyrethroid Pyrazole Others Diphenyl ether Organochlorine Dinitroaniline Nitrophenol Thiocarbamate Bipyridinium Organophosphorus Triazine Carbamate Pyrimidine Conazole Phenylurea Amide/Anilide Organophosphorus Pyrazole/Phenoxy Sulfonylurea Phenylurea Pyrethroid Phenoxy and OP Amide/Anilide_mixed Chemical Class

evaluation process. process. evaluation programme. to IARC monographs suggested Use of approach on pesticides allowed an an allowed pesticides on of Use approach A that be can to chemicals rank is developed approach chemo-informatics

Glyphosate Maneb ; Zineb ; Bupirimate S Tebufenpyrad ; Difenzoquat metilsulfate Oxytetracycline ; Lactofen ; Nitrofen ; Oxyfluorfen ; ; ; Pendimethalin ; Trifluralin ; Ethalfluralin ; Oryzalin ; Dinoseb EPTC ; Butylate ; Pebulate ; Octhilinone ; Paraquat ; Fluazinam ; Chlorfenapyr ; ; Dimet Atrazine ; Simazine ; Cyanazine ; ; Bromoxynil ; Malonoben ; Fenarimol ; Picloram ; Imazethapyr ; Propiconazole ; Triadimenol ; Diniconazole Oxadiazon ; Oxolinic acid ; Benoxacor Benomyl ; Thiabendazole ; Carbendazim ; Terbufos ; Dichlorvos ; Fludioxonil ; Isoxaben Azoxystrobin ; Fluoxastrobin Linuron ; Procymidone ; Diphenylamine ; Chlorpropham ; ; ; Rotenone DDT ; 2,4,5 Biphenyl ; Metolachlor ; Alachlor ; Pesticides in rank - ; Bioallethrin ; -

Trichlorophenoxyacetic acid ; Hexachlorobenzene

Oxytetracycline hydrochloride ing order

; EPN ; DNOC ; Dinobuton

hoate

A pesticides of organophosphates network focused useful ranking of pesticides for the of pesticides