{"id":"W2156100454","doi":"10.1002/etc.5620210508","title":"Selecting internally consistent physicochemical properties of organic compounds","year":2002,"lang":"en","type":"article","venue":"Environmental Toxicology and Chemistry","topic":"Chemical Thermodynamics and Molecular Structure","field":"Chemistry","cited_by":165,"is_retracted":false,"has_abstract":true,"ca_institutions":"Trent University; The Scarborough Hospital; University of Toronto","funders":"","keywords":"Partition coefficient; Octanol; Solubility; Vapor pressure; Miscibility; Chemistry; Organic chemicals; Thermodynamics; Partition (number theory); Biological system; Environmental chemistry; Polymer; Organic chemistry; 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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00001927452,0.0001709413,0.0002156726,0.0000059285,0.00005533323,0.0000086813,0.0001385363,0.0002027807,0.002248582],"category_scores_gemma":[0.00001344442,0.00016431,0.00007425123,0.00002292372,0.0003572319,0.00002054881,0.0001531945,0.0002773315,0.000004261319],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007366511,"about_ca_system_score_gemma":0.000004835741,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":7.69858e-7,"about_ca_topic_score_gemma":2.816903e-7,"domain_scores_codex":[0.9992201,0.000005959968,0.0002064597,0.0002688754,0.0001062505,0.0001923128],"domain_scores_gemma":[0.9996308,0.00001765209,0.00009740087,0.0001706937,0.000004215426,0.00007925704],"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":[0.00002088957,0.0001553758,0.001416648,0.0001227657,0.00007558591,0.000007021079,0.0001215565,8.273192e-7,0.9974223,0.000003798762,0.00004320432,0.0006099813],"study_design_scores_gemma":[0.0004372841,0.00001238771,0.00006992555,0.00003891129,0.00003132983,0.0001506458,0.0001308341,0.0004006101,0.998134,0.0000699382,0.0003538942,0.0001702996],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9920414,0.0009840013,0.0000047625,0.00004782369,0.00001681157,0.00002490014,0.0000114184,0.00002177622,0.006847101],"genre_scores_gemma":[0.9987032,0.00009228733,0.00005086054,0.00006754728,0.00005832832,0.000006187872,0.00001594136,0.0000197734,0.0009859111],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006661758,"threshold_uncertainty_score":0.9986635,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006922634997559502,"score_gpt":0.1723697774221153,"score_spread":0.1654471424245558,"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."}}