{"id":"W2012496576","doi":"10.1021/tx049722k","title":"Quantitative Structure−Property Relationships for Interspecies Extrapolation of the Inhalation Pharmacokinetics of Organic Chemicals","year":2005,"lang":"en","type":"article","venue":"Chemical Research in Toxicology","topic":"Analytical Chemistry and Chromatography","field":"Chemistry","cited_by":46,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"National Center For Environmental Assessment; Centers for Disease Control and Prevention","keywords":"Extrapolation; Inhalation; Pharmacokinetics; Property (philosophy); Chemistry; Organic chemicals; Environmental chemistry; Inhalation exposure; Pharmacology; Medicine; Mathematics; Anesthesia; Statistics","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":[0.0004547462,0.0001165922,0.0002501406,0.00009056442,0.00005759919,0.000007004059,0.000398603,0.0003045119,0.0007305736],"category_scores_gemma":[0.002436394,0.00007931467,0.0001153189,0.0005880455,0.0008269965,0.00006709128,0.000130841,0.0007009719,0.000001461001],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001498221,"about_ca_system_score_gemma":0.00009143802,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002791515,"about_ca_topic_score_gemma":0.000009427858,"domain_scores_codex":[0.9984897,0.00008529595,0.0005342853,0.0002573949,0.0003259065,0.0003073716],"domain_scores_gemma":[0.9975539,0.001620575,0.0001558217,0.0002636789,0.0003343962,0.00007156411],"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":[0.0001942429,0.0001658246,0.002723755,0.0002900826,0.00003003508,1.969611e-7,0.0002589325,0.00002609682,0.9923529,0.00324253,0.0003610873,0.0003543342],"study_design_scores_gemma":[0.0005843132,0.00002980495,0.0002041883,0.00008460174,0.00001639617,0.000002413965,0.0003294636,0.002836112,0.9887745,0.006173536,0.0008814578,0.000083195],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9941988,0.0001561232,0.0001760647,0.001123471,0.00001718576,0.0001660913,0.00004073584,0.00001062126,0.004110929],"genre_scores_gemma":[0.9983644,0.00002956081,0.001251915,0.00001519986,0.00008374132,0.00002463401,0.00002972654,0.00001406996,0.0001867182],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004165656,"threshold_uncertainty_score":0.7999269,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1377685190792189,"score_gpt":0.4003159810911818,"score_spread":0.2625474620119629,"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."}}