{"id":"W4221054849","doi":"10.1063/5.0085956","title":"Comment on “A Database of Experimentally Derived and Estimated Octanol–Air Partition Ratios (<i>K</i>OA)” [J. Phys. Chem. Ref. Data 50, 043101 (2021)]","year":2022,"lang":"en","type":"article","venue":"Journal of Physical and Chemical Reference Data","topic":"Analytical Chemistry and Chromatography","field":"Chemistry","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research","keywords":"Chemistry; Partition (number theory); Partition coefficient; Octanol; Computational chemistry; Thermodynamics; Organic chemistry; Physics; Combinatorics","routes":{"ca_aff":true,"ca_fund":true,"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":[0.00556655,0.001458329,0.001167313,0.001276635,0.003224013,0.002524846,0.004631331,0.02747273,0.01777137],"category_scores_gemma":[0.02684917,0.001088691,0.001955275,0.001134635,0.002887036,0.003280808,0.001967238,0.02271715,0.02925639],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.003647898,"about_ca_system_score_gemma":0.004920444,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.02536599,"about_ca_topic_score_gemma":0.02737794,"domain_scores_codex":[0.9954973,0.000355286,0.0006183874,0.0007403581,0.002375314,0.0004132971],"domain_scores_gemma":[0.98476,0.005631761,0.001338672,0.0006961751,0.00652921,0.001044207],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00004424433,0.00001466395,0.000180683,0.00003561579,0.000006967168,0.0001585719,0.00003604301,0.00003596544,0.0003652374,0.0007956133,0.9967506,0.001575741],"study_design_scores_gemma":[0.0001011744,0.00008149515,0.003277797,0.0001726432,0.0000316708,0.0003214233,0.0001287675,0.0002373195,0.001989036,0.003741191,0.9898292,0.00008812929],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"commentary","genre_gemma":"commentary","genre_scores_codex":[0.0008162063,0.001494965,0.0006835302,0.917189,0.06855994,0.00007204399,0.00187229,0.0005886908,0.008723283],"genre_scores_gemma":[0.002336134,0.0005113505,0.000524906,0.9729791,0.01219603,0.00007662817,0.0003270847,0.00008086195,0.01096804],"genre_candidate":"commentary","genre_consensus":"commentary","teacher_disagreement_score":0.02747273,"threshold_uncertainty_score":0.0594511,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06073136498922331,"score_gpt":0.312394786713995,"score_spread":0.2516634217247716,"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."}}