{"id":"W2164122217","doi":"10.1002/jat.1369","title":"Application of structure–activity relationships to investigate the molecular mechanisms of hepatocyte toxicity and electrophilic reactivity of <i>α</i>,<i>β</i>‐unsaturated aldehydes","year":2008,"lang":"en","type":"article","venue":"Journal of Applied Toxicology","topic":"Biochemical Acid Research Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":46,"is_retracted":false,"has_abstract":true,"ca_institutions":"Health Canada; University of Toronto","funders":"","keywords":"Electrophile; Nucleophile; Chemistry; Reactivity (psychology); Hepatocyte; Amine gas treating; Toxicity; Stereochemistry; Biochemistry; Organic chemistry; In vitro","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000956319,0.0008781922,0.0005575879,0.0005366719,0.00009909025,0.0005106776,0.0003191026,0.0005049055,0.0009366517],"category_scores_gemma":[0.001220612,0.0002925575,0.001034958,0.0006517765,0.0001861471,0.000501202,0.0002532532,0.000724025,0.0004071514],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004364449,"about_ca_system_score_gemma":0.0002023842,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005542142,"about_ca_topic_score_gemma":0.0005177223,"domain_scores_codex":[0.9997143,0.0001268071,0.00001842588,0.00004489328,0.00006448197,0.00003097791],"domain_scores_gemma":[0.9991875,0.0004682496,0.0001803467,0.00005306188,0.00008588089,0.000024992],"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":[0.001104838,0.0005315318,0.01020036,0.000451587,0.000306419,0.0001485098,0.0000572182,0.03538567,0.9197369,0.0006934752,0.0001351316,0.0312483],"study_design_scores_gemma":[0.00008460746,0.008408097,0.03691355,0.00003176725,0.0005958265,0.0004620268,0.00009150263,0.2116295,0.7369967,0.001455085,0.003257932,0.00007343837],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9490615,0.006194668,0.04032704,0.0001534944,0.00002773815,0.0001583256,0.0008415308,0.0002853794,0.002950423],"genre_scores_gemma":[0.9887238,0.002502471,0.007445015,0.0000454477,0.00001241857,0.00007160586,0.0004793925,0.00001473185,0.0007051901],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.000956319,"threshold_uncertainty_score":0.005057514,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01395724230357714,"score_gpt":0.2426550405992325,"score_spread":0.2286977982956553,"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."}}