{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.005492118,0.0008117115,0.002865354,0.0002819201,0.0003326753,0.001997578,0.001642935,0.001282646,0.005458325],"category_scores_gemma":[0.004776194,0.0003635487,0.001374439,0.000623056,0.001956353,0.004169361,0.001475333,0.002952866,0.001353511],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008672167,"about_ca_system_score_gemma":0.0005600909,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001489297,"about_ca_topic_score_gemma":0.001711171,"domain_scores_codex":[0.998429,0.000750023,0.00005472347,0.0002557448,0.0003917859,0.000118591],"domain_scores_gemma":[0.997305,0.001553385,0.0002715095,0.0004626538,0.0003019361,0.000105354],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00134906,0.0003656944,0.01470737,0.00152137,0.00164595,0.0004026712,0.0004192427,0.360756,0.03056058,0.2374796,0.01840999,0.3323826],"study_design_scores_gemma":[0.0001060846,0.0008927199,0.003282254,0.0002879546,0.00041338,0.0002341967,0.0002409174,0.702845,0.01021812,0.2599903,0.02132958,0.0001595469],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.08444972,0.02064048,0.8598496,0.0227532,0.0007207685,0.00009708828,0.0006038314,0.001863873,0.009021464],"genre_scores_gemma":[0.8938395,0.008776774,0.08460162,0.005811475,0.0005794687,0.0001011068,0.0004413739,0.0005181957,0.005330474],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.005492118,"threshold_uncertainty_score":0.02904546,"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."}}