{"id":"W1976169899","doi":"10.1002/jat.1312","title":"Structure–activity relationships for thiol reactivity and rat or human hepatocyte toxicity induced by substituted <i>p</i>‐benzoquinone compounds","year":2007,"lang":"en","type":"article","venue":"Journal of Applied Toxicology","topic":"Free Radicals and Antioxidants","field":"Chemistry","cited_by":56,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Chemistry; Quantitative structure–activity relationship; Electrophile; Glutathione; Reactivity (psychology); Thiol; Toxicity; Covalent bond; Benzoquinone; Stereochemistry; Combinatorial chemistry; Biochemistry; Enzyme; Organic chemistry","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":[0.0009274303,0.0002630511,0.0006413281,0.0001211618,0.0004038026,0.00004689684,0.0002354928,0.0005513829,0.00009542404],"category_scores_gemma":[0.0001752308,0.000216703,0.0001109196,0.0001565471,0.0001998811,0.0001916353,0.00005641875,0.001049051,8.766678e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001786726,"about_ca_system_score_gemma":0.0001305447,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001304914,"about_ca_topic_score_gemma":0.0004129029,"domain_scores_codex":[0.9982923,0.00004330774,0.0006644544,0.000297809,0.0002649146,0.0004372092],"domain_scores_gemma":[0.9977725,0.0008078653,0.0008198749,0.0002144273,0.0001156041,0.0002697823],"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":[0.0018503,0.0003588433,0.001175621,0.00006817172,0.00009782374,0.00002640711,0.00007479469,0.000003515052,0.9911857,0.001204325,0.001052833,0.002901674],"study_design_scores_gemma":[0.002998155,0.0002468298,0.007925071,0.00002812946,0.00008626616,0.000206328,0.00007427235,0.00006725461,0.9822981,0.002397118,0.003406058,0.0002664319],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9967146,0.0000598086,0.001130886,0.000208564,0.0001916017,0.0001950993,0.00005917066,0.00003531574,0.001404987],"genre_scores_gemma":[0.9983521,0.00001875398,0.0009995154,0.0001429502,0.0003755572,0.000006047996,0.00001461758,0.00002926819,0.00006117531],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008887605,"threshold_uncertainty_score":0.883689,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03842072829884263,"score_gpt":0.2883755682368924,"score_spread":0.2499548399380498,"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."}}