{"id":"W2049728297","doi":"10.1080/10590501.2014.877648","title":"Performance of (Q)SAR Models for Predicting Ames Mutagenicity of Aryl Azo and Benzidine Based Compounds","year":2014,"lang":"en","type":"article","venue":"Journal of Environmental Science and Health Part C","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"Health Canada","funders":"University of Birmingham","keywords":"Toolbox; Benzidine; Human health; Computer science; Biochemical engineering; Hazard; Function (biology); Risk analysis (engineering); Operations research; Data mining; Chemistry; Business; Engineering; Biology","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":true,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.003878597,0.0000764325,0.0002515429,0.000117771,0.0002011553,0.00002255971,0.000301489,0.00001750594,0.000001401896],"category_scores_gemma":[0.0000421254,0.00006382235,0.00003729993,0.0001455719,0.0003625844,0.0008069678,0.000127436,0.00006434834,7.148653e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006877313,"about_ca_system_score_gemma":0.0001943548,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000009182426,"about_ca_topic_score_gemma":0.000001243738,"domain_scores_codex":[0.9985924,0.00003770485,0.0004802068,0.0001697135,0.0005324932,0.0001874249],"domain_scores_gemma":[0.9988782,0.0002349542,0.0005742342,0.0001163516,0.00004239252,0.0001538774],"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":[0.0003067681,0.0009115417,0.2572715,0.001077369,0.00005029532,0.00000180377,0.004208161,0.444209,0.06054298,0.008522774,0.0003396691,0.2225581],"study_design_scores_gemma":[0.0004351386,0.0008800338,0.1274574,0.00007694672,0.000004658016,0.0000159979,0.00003696707,0.8655304,0.004558637,0.00083365,0.0001164692,0.00005365745],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8944089,0.0001593865,0.1045486,0.0006428371,0.00009252075,0.000106376,0.000007617521,0.000002219866,0.00003160023],"genre_scores_gemma":[0.9439394,0.0001217641,0.05563539,0.0002621938,0.00003554599,8.160187e-7,3.877204e-7,0.000002553406,0.000001983725],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4213215,"threshold_uncertainty_score":0.26026,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04111817928363789,"score_gpt":0.3120586178376509,"score_spread":0.2709404385540131,"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."}}