{"id":"W2059053087","doi":"10.1002/qsar.200860186","title":"Global or Local QSAR: Is There a Way Out?","year":2009,"lang":"en","type":"article","venue":"QSAR & Combinatorial Science","topic":"Analytical Chemistry and Chromatography","field":"Chemistry","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"University Health Network","funders":"","keywords":"Quantitative structure–activity relationship; Computer science; Reliability (semiconductor); Machine learning; Artificial intelligence","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":[0.0002654097,0.0002589949,0.0002698514,0.00002586096,0.0003806499,0.0001752911,0.001138008,0.0001948851,0.001970493],"category_scores_gemma":[0.000138832,0.0002020973,0.0001690223,0.001016328,0.0009631573,0.0002531445,0.0001268946,0.0002181075,0.0001393482],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002139581,"about_ca_system_score_gemma":0.0002824623,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003858459,"about_ca_topic_score_gemma":0.000004033707,"domain_scores_codex":[0.9974498,0.00001117753,0.0002891236,0.0006463206,0.0009184717,0.0006851102],"domain_scores_gemma":[0.9987131,0.00004490517,0.000091674,0.0005810309,0.000139374,0.0004299157],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001645469,0.00468916,0.02932867,0.0004568108,0.0002332633,0.0008806958,0.00165821,0.00003417389,0.2818579,0.5559936,0.05794197,0.06528006],"study_design_scores_gemma":[0.00451069,0.0005661623,0.004435231,0.0002861651,0.0001552889,0.00008582323,0.001047961,0.001810415,0.6348932,0.2490885,0.1011394,0.001981113],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6727823,0.0002164227,0.0004796173,0.0009777934,0.001081366,0.00008526434,0.00004047211,0.0003168972,0.3240198],"genre_scores_gemma":[0.9983172,0.00001354339,0.00006843849,0.0003421974,0.0003832779,0.000003073376,0.000003256833,0.000007341132,0.0008616585],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3530354,"threshold_uncertainty_score":0.9989418,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01184028853535519,"score_gpt":0.272452029563122,"score_spread":0.2606117410277669,"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."}}