{"id":"W2024446077","doi":"10.1016/s1476-9271(02)00089-0","title":"Quantitative relationships between molecular structures, environmental temperatures and octanol–air partition coefficients of polychlorinated biphenyls","year":2003,"lang":"en","type":"article","venue":"Computational Biology and Chemistry","topic":"Toxic Organic Pollutants Impact","field":"Environmental Science","cited_by":31,"is_retracted":false,"has_abstract":false,"ca_institutions":"Environment and Climate Change Canada","funders":"Ministry of Education, India; Ministry of Earth Sciences","keywords":"Partition coefficient; Partition (number theory); Environmental chemistry; Octanol; Chemistry; Chromatography; Mathematics","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":[0.0005706626,0.0002406091,0.0001636258,0.0002623624,0.0001059697,0.0004662235,0.0002096405,0.0002773019,0.000522039],"category_scores_gemma":[0.004334903,0.0002423812,0.0001751794,0.0002049817,0.0002735881,0.0004811147,0.0001373519,0.0003041725,0.00008932199],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003780547,"about_ca_system_score_gemma":0.000293164,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002757714,"about_ca_topic_score_gemma":0.003658357,"domain_scores_codex":[0.9998657,0.00005376947,0.000005237237,0.0000288691,0.00002914829,0.00001724636],"domain_scores_gemma":[0.9953029,0.003760199,0.0004901084,0.0001590268,0.0002254917,0.00006225416],"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":[0.00203852,0.0003243198,0.1272429,0.0002063008,0.0003881244,0.00009959278,0.00007081562,0.7099476,0.13869,0.003764289,0.0006365109,0.01659102],"study_design_scores_gemma":[0.00004782118,0.0002046412,0.04424851,0.0000052468,0.00009865472,0.00003798602,0.00003663596,0.877143,0.07592504,0.001966459,0.000263384,0.0000225397],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9965301,0.0001305665,0.002771533,0.00004832706,0.00000277976,0.000003178599,0.0002037661,0.00003289565,0.0002768445],"genre_scores_gemma":[0.9989737,0.00005623703,0.0005870023,0.000008838686,0.000001857437,0.000003963402,0.0002397373,0.000006083117,0.0001225407],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002757714,"threshold_uncertainty_score":0.005483329,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01131942848950818,"score_gpt":0.2449258084089366,"score_spread":0.2336063799194285,"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."}}