{"id":"W1965913357","doi":"10.1016/j.chroma.2003.07.002","title":"Predicting gas chromatographic retention times for the 209 polybrominated diphenyl ether congeners","year":2003,"lang":"en","type":"article","venue":"Journal of Chromatography A","topic":"Toxic Organic Pollutants Impact","field":"Environmental Science","cited_by":60,"is_retracted":false,"has_abstract":false,"ca_institutions":"Fisheries and Oceans Canada; University of Victoria","funders":"","keywords":"Chemistry; Diphenyl ether; Bromine; Chromatography; Ether; Polybrominated diphenyl ethers; Gas chromatography; 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":[0.0003839138,0.0007788081,0.0003934403,0.0005637648,0.0003900634,0.0006701324,0.0003843236,0.0007743192,0.0009883473],"category_scores_gemma":[0.0008811413,0.0004081338,0.0005952201,0.0003123849,0.0001587553,0.0003620074,0.0001815468,0.0004889381,0.0006155291],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009167613,"about_ca_system_score_gemma":0.001060902,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01730342,"about_ca_topic_score_gemma":0.01527806,"domain_scores_codex":[0.9999019,0.00001236921,0.000003599277,0.00002738391,0.00003433185,0.00002049204],"domain_scores_gemma":[0.9996443,0.0002054433,0.00002570115,0.00001073222,0.00009177091,0.00002207647],"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":[0.002640002,0.0007411095,0.07499047,0.0002588474,0.0002399892,0.0004313785,0.0001125192,0.2807449,0.5544435,0.00064074,0.001520136,0.08323629],"study_design_scores_gemma":[0.00005702061,0.0004871644,0.01562861,0.000009543096,0.0001395639,0.0001313358,0.00007186157,0.7350963,0.2471313,0.0003596686,0.0008557215,0.00003189343],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9762937,0.000254766,0.02124388,0.00007129377,0.00003031902,0.00004642179,0.0005459278,0.0004610332,0.001052523],"genre_scores_gemma":[0.9841768,0.0002514252,0.01351413,0.00003357906,0.000006767666,0.00002551303,0.0005963828,0.00004148379,0.001353855],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01730342,"threshold_uncertainty_score":0.03440535,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01001065959840359,"score_gpt":0.2268596263043449,"score_spread":0.2168489667059413,"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."}}