{"id":"W2952925461","doi":"10.1002/chin.200931144","title":"ChemInform Abstract: Synthesis of New 1‐(2‐, 3‐, or 4‐Methanesulfonylphenyl)‐2‐[5‐(N‐hydroxypyridin‐2(1H)‐one)]acetylene Regioisomers: A Search for Novel Cyclooxygenase and Lipoxygenase Inhibitors.","year":2009,"lang":"en","type":"article","venue":"ChemInform","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Chemistry; Acetylene; Structural isomer; Information retrieval; Combinatorial chemistry; Stereochemistry; Organic chemistry; Computer science","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":[0.0001910531,0.001100202,0.0004179107,0.0004831621,0.0002486015,0.0002988087,0.0005902515,0.0003535179,0.01624205],"category_scores_gemma":[0.0001545285,0.0002994564,0.0004254392,0.0004312864,0.0001971111,0.0005060948,0.0003049117,0.0006476115,0.006807425],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003822648,"about_ca_system_score_gemma":0.0009841326,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006548474,"about_ca_topic_score_gemma":0.001255007,"domain_scores_codex":[0.9999102,0.00001131183,0.000006010621,0.00002009643,0.00002376005,0.00002860829],"domain_scores_gemma":[0.9999503,0.000004539241,0.00001122495,0.000005148526,0.000010324,0.00001849983],"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":[0.001467034,0.000459514,0.0003790067,0.002517336,0.0001422667,0.0008831824,0.0001806925,0.003485497,0.8364384,0.007254374,0.02638882,0.1204038],"study_design_scores_gemma":[0.0006100271,0.003064089,0.001727145,0.0001186964,0.0001572599,0.0007457527,0.00006040409,0.001187952,0.8799245,0.001185275,0.1111416,0.0000772866],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5559023,0.07151052,0.08009384,0.003876802,0.00339425,0.001979603,0.02959931,0.004559419,0.249084],"genre_scores_gemma":[0.8007439,0.04819296,0.02602758,0.001397395,0.0004554716,0.0004818536,0.01266806,0.0003966935,0.1096362],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01624205,"threshold_uncertainty_score":0.05433512,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04929495029626765,"score_gpt":0.2684380024650851,"score_spread":0.2191430521688175,"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."}}