{"id":"W2036463201","doi":"10.1107/s1600536812041815","title":"5-(4-Hexyl-1<i>H</i>-1,2,3-triazol-1-yl)-2,1,3-benzoxadiazole","year":2012,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Structure Reports Online","topic":"Click Chemistry and Applications","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta; Alberta Glycomics Centre","funders":"","keywords":"Dihedral angle; Triazole; Chemistry; Crystallography; Hydrogen bond; Ring (chemistry); Stereochemistry; Molecule; Organic chemistry","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":[0.00006866956,0.0002340104,0.0003477338,0.00012749,0.0001479826,0.0001940553,0.0003174325,0.0001688006,0.001901724],"category_scores_gemma":[0.00006686524,0.000118087,0.0001169972,0.0001693063,0.0001191162,0.0001313786,0.0001268599,0.0002564855,0.0009251834],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004080686,"about_ca_system_score_gemma":0.0003449231,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001031656,"about_ca_topic_score_gemma":0.00260041,"domain_scores_codex":[0.9999167,0.00001193126,0.000005377889,0.00001664202,0.00001801461,0.00003134783],"domain_scores_gemma":[0.999979,0.000001621099,0.000006095799,0.000002283282,0.000005175747,0.000005912573],"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":[0.0003788709,0.00008460358,0.0004215878,0.0004388737,0.00002044696,0.0002015054,0.0000232661,0.0007566778,0.982613,0.001352635,0.001109424,0.01259919],"study_design_scores_gemma":[0.0003821046,0.002843591,0.005254855,0.00003958616,0.00004477246,0.0008153811,0.00004381592,0.003275163,0.9271888,0.0001655653,0.05991441,0.00003201596],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.903321,0.0245318,0.02412289,0.0005491805,0.0006748023,0.00035005,0.002932695,0.001185385,0.0423323],"genre_scores_gemma":[0.9792966,0.00446203,0.006754359,0.0001317511,0.00002174999,0.00009232633,0.0008330031,0.00002526142,0.008382987],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001901724,"threshold_uncertainty_score":0.006361902,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009956613304606341,"score_gpt":0.2505644202019786,"score_spread":0.2406078068973723,"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."}}