{"id":"W2068150482","doi":"10.1021/ac0256033","title":"Estimating Octanol−Air Partition Coefficients of Nonpolar Semivolatile Organic Compounds from Gas Chromatographic Retention Times","year":2002,"lang":"en","type":"article","venue":"Analytical Chemistry","topic":"Toxic Organic Pollutants Impact","field":"Environmental Science","cited_by":92,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Chemistry; Partition coefficient; Chromatography; Octanol; Gas chromatography; Relative standard deviation; Volatile organic compound; Polybrominated diphenyl ethers; Polar; Analytical Chemistry (journal); Environmental chemistry; Detection limit; Organic chemistry; Pollutant","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":[0.0006962114,0.0006198933,0.0004294444,0.001195621,0.0002085348,0.0005775187,0.0005263569,0.0005025942,0.0006193459],"category_scores_gemma":[0.00217331,0.0002679525,0.0002866851,0.0006413287,0.000320794,0.0007075749,0.0002430866,0.000636372,0.0007609839],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004028944,"about_ca_system_score_gemma":0.0004432449,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001790408,"about_ca_topic_score_gemma":0.003823952,"domain_scores_codex":[0.9994317,0.00008175501,0.00002570363,0.0001430157,0.0002684865,0.00004931011],"domain_scores_gemma":[0.9992992,0.0003167049,0.000145008,0.00004706985,0.0001678421,0.00002426921],"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":[0.00020771,0.00004837835,0.005074274,0.0001593642,0.00003377604,0.00003114736,0.00005233931,0.001200342,0.972211,0.0002006294,0.00006760549,0.02071342],"study_design_scores_gemma":[0.00001038415,0.0002345471,0.01230092,0.00001519385,0.00005513435,0.000181787,0.00005522865,0.00979274,0.9756647,0.0002877104,0.001376634,0.00002513722],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8203599,0.004077223,0.1717281,0.00008531376,0.00005944676,0.0001769598,0.001052579,0.0004912021,0.001969212],"genre_scores_gemma":[0.8623713,0.005057748,0.1276457,0.0001279657,0.00002561891,0.000274815,0.001741836,0.0001577937,0.002597118],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001790408,"threshold_uncertainty_score":0.003681958,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01041665850452225,"score_gpt":0.2138017968224237,"score_spread":0.2033851383179015,"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."}}