{"id":"W4307228497","doi":"10.1002/etc.5503","title":"Models Used to Predict Chemical Bioaccumulation in Fish from in Vitro Biotransformation Rates Require Accurate Estimates of Blood–Water Partitioning and Chemical Volume of Distribution","year":2022,"lang":"en","type":"article","venue":"Environmental Toxicology and Chemistry","topic":"Pesticide Residue Analysis and Safety","field":"Agricultural and Biological Sciences","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"The Scarborough Hospital; University of Toronto","funders":"University of Toronto Scarborough; University of Toronto","keywords":"Bioaccumulation; Bioconcentration; Biotransformation; Environmental chemistry; Chemistry; Partition coefficient; Extrapolation; Persistent organic pollutant; Volume of distribution; Linear regression; Fish <Actinopterygii>; Toxicokinetics; Statistics; Mathematics; Chromatography; Biology; Pollutant; Pharmacokinetics; Toxicity; Biochemistry","routes":{"ca_aff":true,"ca_fund":true,"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":[0.000624052,0.0008262994,0.0004297985,0.0004697693,0.0002222285,0.0008015083,0.0007639981,0.0006723714,0.001088275],"category_scores_gemma":[0.001563792,0.0003801064,0.0008517688,0.0003138483,0.0002827524,0.0007707246,0.0004038024,0.0007953876,0.0006731186],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00136515,"about_ca_system_score_gemma":0.001101341,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01498603,"about_ca_topic_score_gemma":0.01365333,"domain_scores_codex":[0.9998193,0.00004265329,0.00001663456,0.00004599051,0.00005304917,0.0000223436],"domain_scores_gemma":[0.9996364,0.0001865882,0.00008353571,0.00002150391,0.00006076576,0.00001114145],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.000111413,0.00006975925,0.01196574,0.000176212,0.0001552123,0.0001116346,0.0000638651,0.8905463,0.07352352,0.00189341,0.000389002,0.02099398],"study_design_scores_gemma":[0.00001043311,0.0001080069,0.003369962,0.00001817193,0.00004746735,0.00005179501,0.00002528021,0.968082,0.02633702,0.001062186,0.000866295,0.00002127011],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5544891,0.0009526042,0.4377556,0.0003458073,0.00003810609,0.0001412679,0.0008244432,0.0007427331,0.004710321],"genre_scores_gemma":[0.9552399,0.0009270079,0.03916836,0.0001007996,0.000008105054,0.0001899326,0.0004565095,0.0001271601,0.00378234],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01498603,"threshold_uncertainty_score":0.02979761,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01258676978644246,"score_gpt":0.2103491360874453,"score_spread":0.1977623663010029,"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."}}