{"id":"W2132319558","doi":"10.1080/10629360902949153","title":"The physicochemical basis of QSARs for baseline toxicity","year":2009,"lang":"en","type":"article","venue":"SAR and QSAR in environmental research","topic":"Electrochemical Analysis and Applications","field":"Chemistry","cited_by":74,"is_retracted":false,"has_abstract":true,"ca_institutions":"Trent University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Toxicity; Fugacity; Abiotic component; Environmental chemistry; Bioassay; Chemistry; Organism; Chemical toxicity; Bioconcentration; Quantitative structure–activity relationship; Baseline (sea); Acute toxicity; Toxicology; Biology; Ecology; Bioaccumulation; Organic chemistry; Stereochemistry; Fishery","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004221819,0.00006612105,0.0001094297,0.00002103125,0.00013098,0.00001144278,0.0001614178,0.00005259854,0.00005486559],"category_scores_gemma":[0.00005443315,0.00004824566,0.00006294814,0.00009950247,0.0002197555,0.00002064302,0.00003740325,0.0001986341,0.000004160218],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000050565,"about_ca_system_score_gemma":0.000007855869,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007777318,"about_ca_topic_score_gemma":0.000003067429,"domain_scores_codex":[0.9991205,0.00002142956,0.0001673435,0.0001965581,0.0002422996,0.0002518437],"domain_scores_gemma":[0.9992962,0.0004259539,0.00002391141,0.0001923419,0.000006798284,0.0000547455],"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":[0.00004048234,0.0002211689,0.0005355576,0.000009366376,0.000007464529,1.598575e-7,0.00002941144,0.000001119835,0.938141,0.0003360779,0.0001986576,0.06047957],"study_design_scores_gemma":[0.0002343116,0.00004293689,0.0006015369,0.000009702229,0.00000599973,4.632794e-7,0.0001971865,0.00141464,0.9830112,0.008821701,0.00560142,0.00005891656],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9969934,0.0006555374,0.00004772368,0.000829799,0.000001181822,0.00008212486,0.00003405071,0.000003546869,0.001352643],"genre_scores_gemma":[0.9985597,0.000668819,0.0001534013,0.00003053681,0.00004590029,0.00002104722,0.00003759769,0.000005179433,0.0004778662],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.06042065,"threshold_uncertainty_score":0.1967401,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02128525870079315,"score_gpt":0.3210973542823229,"score_spread":0.2998120955815298,"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."}}