{"id":"W4252980288","doi":"10.1038/npre.2009.3282.1","title":"A comparative assessment of octanol-water partitioning and distribution constant estimation methods for perfluoroalkyl carboxylates and sulfonates","year":2009,"lang":"en","type":"preprint","venue":"Nature Precedings","topic":"Per- and polyfluoroalkyl substances research","field":"Environmental Science","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Okanagan College; Penticton Regional Hospital","funders":"","keywords":"Octanol; Partition coefficient; Carboxylate; Chemistry; Sulfonate; Group (periodic table); Organic chemistry","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":[0.004859365,0.0009929063,0.0005238418,0.001923004,0.0002807889,0.0007730802,0.0008229548,0.0005691962,0.0004421677],"category_scores_gemma":[0.01102337,0.0004397505,0.000635779,0.0007561576,0.0003454683,0.001033343,0.0006489049,0.000486789,0.0002989284],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005718463,"about_ca_system_score_gemma":0.0008223025,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006679569,"about_ca_topic_score_gemma":0.005882095,"domain_scores_codex":[0.9983647,0.0004671656,0.00008963256,0.0003560541,0.0006672367,0.00005524019],"domain_scores_gemma":[0.9934086,0.004217112,0.00070245,0.0002600203,0.001306269,0.0001056383],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"observational","study_design_scores_codex":[0.002802454,0.0004353819,0.1379265,0.0009317793,0.0007532162,0.0001506017,0.001084146,0.06628473,0.2991319,0.001550167,0.0006328927,0.4883162],"study_design_scores_gemma":[0.00005059084,0.0008646197,0.06020666,0.00007301426,0.0002511648,0.0002317677,0.0002074252,0.670406,0.2646932,0.0007251882,0.002162959,0.0001274118],"study_design_candidate":"observational","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7621216,0.00185455,0.2315929,0.0001683193,0.00002370748,0.0001309639,0.0005350402,0.00227194,0.001301036],"genre_scores_gemma":[0.8526922,0.001098327,0.1441593,0.00006287711,0.00001389048,0.0001478184,0.0006768425,0.0003772216,0.0007714175],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006679569,"threshold_uncertainty_score":0.02569902,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02175058753942003,"score_gpt":0.4055717250410072,"score_spread":0.3838211375015872,"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."}}