{"id":"W2145671732","doi":"10.1021/es8029472","title":"Classification of Chemicals Based on Concentration-Dependent Toxicological Data Using ToxClust","year":2009,"lang":"en","type":"article","venue":"Environmental Science & Technology","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"","keywords":"Environmental chemistry; Chemistry; Environmental science; Toxicology; Biology","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":[0.008274551,0.003138582,0.004101178,0.008281818,0.001604454,0.003603932,0.003400388,0.00159593,0.005354952],"category_scores_gemma":[0.02320115,0.0008959686,0.003678651,0.006876213,0.001046188,0.001363335,0.002161459,0.002016617,0.001538577],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00144716,"about_ca_system_score_gemma":0.003687995,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003132877,"about_ca_topic_score_gemma":0.004424875,"domain_scores_codex":[0.9948527,0.001871595,0.0008342208,0.001062335,0.001211526,0.0001676015],"domain_scores_gemma":[0.9808225,0.0141668,0.001171597,0.00165995,0.001698993,0.0004801716],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.005286549,0.001797322,0.09135362,0.008563495,0.007818812,0.003799111,0.002788623,0.247778,0.08964941,0.02021624,0.04969174,0.4712572],"study_design_scores_gemma":[0.0006134823,0.000900931,0.01794697,0.0001834288,0.0006247787,0.0009614258,0.0007367112,0.86392,0.04652585,0.02672866,0.0405161,0.000341626],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.209349,0.001029548,0.7052489,0.001626965,0.000491736,0.002249312,0.04995424,0.02706384,0.002986562],"genre_scores_gemma":[0.1709627,0.0004265643,0.7806749,0.0002349383,0.00007563169,0.002169487,0.04196006,0.00245524,0.001040481],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.008281818,"threshold_uncertainty_score":0.04376054,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02615764770443551,"score_gpt":0.2854811288488802,"score_spread":0.2593234811444446,"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."}}