{"id":"W4367397380","doi":"10.1016/j.jhazmat.2023.131541","title":"Innovative screening for functional improved aromatic amine derivatives: Toxicokinetics, free radical oxidation pathway and carcinogenic adverse outcome pathway","year":2023,"lang":"en","type":"article","venue":"Journal of Hazardous Materials","topic":"Free Radicals and Antioxidants","field":"Chemistry","cited_by":14,"is_retracted":false,"has_abstract":false,"ca_institutions":"Memorial University of Newfoundland","funders":"","keywords":"Chemistry; Aromatic amine; Carcinogen; Radical; Quantitative structure–activity relationship; Amine gas treating; Organic chemistry; Environmental chemistry; Stereochemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000882065,0.000270809,0.0006537389,0.00022109,0.0001560713,0.00009278332,0.0002524604,0.0001756912,0.0004144395],"category_scores_gemma":[0.001119979,0.0002226994,0.000143449,0.0002603231,0.000152001,0.000249952,0.000119164,0.0001810542,0.000009447748],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007370771,"about_ca_system_score_gemma":0.0001226344,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004722427,"about_ca_topic_score_gemma":0.000003586933,"domain_scores_codex":[0.9976159,0.00006092042,0.001287315,0.0002557437,0.0004081911,0.0003718678],"domain_scores_gemma":[0.9980778,0.0002921079,0.0009524197,0.0002423784,0.0002813948,0.0001538667],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0003033678,0.00007103051,0.001931586,0.0002965122,0.0001699319,0.0000450432,0.0001520709,0.00001577377,0.9939773,0.0001029532,0.0007950919,0.002139309],"study_design_scores_gemma":[0.004212705,0.0002872712,0.02976803,0.0002924234,0.00006935724,0.0001797576,0.0004882067,0.000227308,0.9614524,0.0009521653,0.001745584,0.0003248181],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9948789,0.0001157987,0.003510742,0.0003961853,0.0005082292,0.0001759714,0.0003013642,0.00005978658,0.00005300113],"genre_scores_gemma":[0.9946457,0.00004697893,0.003827653,0.00009830055,0.0008529383,0.00002219971,0.00009766554,0.00005137528,0.0003571884],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03252496,"threshold_uncertainty_score":0.9081417,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03578176123648635,"score_gpt":0.2614046316442271,"score_spread":0.2256228704077408,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}