{"id":"W4323975921","doi":"10.1016/j.molstruc.2023.135321","title":"Synthesis, structure and α-glucosidase inhibitor activity evaluation of some acetamide derivatives starting from 2-(naphthalen-1-yl) acetic acid, containing a 1,2,4-triazole","year":2023,"lang":"en","type":"article","venue":"Journal of Molecular Structure","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":16,"is_retracted":false,"has_abstract":false,"ca_institutions":"OmegaChem (Canada)","funders":"Herculesstichting; Fonds Wetenschappelijk Onderzoek","keywords":"Chemistry; Acetamide; Moiety; Substituent; Thio-; Docking (animal); Stereochemistry; Acetic acid; 1,2,4-Triazole; Active site; Aryl; Thiazole; Triazole; Crystal structure; Proton NMR; Carbon-13 NMR; Enzyme; Medicinal chemistry; Organic chemistry; Alkyl","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":[],"consensus_categories":[],"category_scores_codex":[0.0007156652,0.0003133393,0.0007101287,0.000140608,0.0001149558,0.00006338801,0.0002583295,0.0003383431,0.0004314421],"category_scores_gemma":[0.002941344,0.0002283215,0.0002174438,0.0002321515,0.0001367406,0.0003005978,0.0001454619,0.0005647024,5.598848e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001035465,"about_ca_system_score_gemma":0.0001322754,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001843317,"about_ca_topic_score_gemma":0.000006475304,"domain_scores_codex":[0.9975045,0.000377598,0.0005782933,0.000340766,0.0008892072,0.0003096405],"domain_scores_gemma":[0.9974723,0.0006490931,0.001125198,0.0002699873,0.000335284,0.0001480729],"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":[0.0003365308,0.00003359368,0.004570913,0.00007310689,0.0002786051,0.0000504257,0.0002672886,0.0001828829,0.9528478,0.000011994,0.00001640485,0.04133049],"study_design_scores_gemma":[0.000982448,0.000081003,0.03157983,0.0002770001,0.0003111743,0.00002954379,0.00062172,0.0006619274,0.9589263,0.006285132,0.00001353645,0.0002304015],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9976414,0.001382227,0.00005214627,0.0003633145,0.0001169349,0.000114313,0.0002725687,0.00002644335,0.0000306615],"genre_scores_gemma":[0.9989428,0.00006017719,0.0006187075,0.00004489651,0.0002890753,0.000003705987,0.00001221912,0.0000266601,0.000001766552],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04110008,"threshold_uncertainty_score":0.9310679,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02408445333688414,"score_gpt":0.2706117534103908,"score_spread":0.2465273000735066,"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."}}