{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001063159,0.0003330447,0.0002183028,0.0002401728,0.00015199,0.0001213557,0.000305275,0.0001820417,0.0009478525],"category_scores_gemma":[0.0001025377,0.0001255391,0.0002444942,0.0002163633,0.0001539675,0.0001469306,0.00009583583,0.0003104163,0.0002363687],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001596744,"about_ca_system_score_gemma":0.0002627434,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001107186,"about_ca_topic_score_gemma":0.001419578,"domain_scores_codex":[0.9999497,0.000008835769,0.0000059922,0.000007202142,0.00001217773,0.00001616094],"domain_scores_gemma":[0.9999399,0.000008198538,0.00001518352,0.000006749635,0.00001383013,0.00001614112],"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":[0.000179884,0.00006170599,0.00008391822,0.00007759569,0.000006546265,0.0001278638,0.00002307227,0.000284821,0.9955402,0.0001518465,0.00004851227,0.003414008],"study_design_scores_gemma":[0.00005003556,0.001823684,0.002256887,0.00001029512,0.00003211269,0.0002039504,0.00001438145,0.0004948764,0.9923865,0.00002835549,0.002690396,0.000008634422],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9886508,0.003481557,0.003432396,0.00006987234,0.00003708596,0.0001009716,0.0004187598,0.00005958185,0.003748943],"genre_scores_gemma":[0.9915822,0.002592327,0.003515762,0.00003013488,0.0000150084,0.00004264155,0.0004866021,0.00001016836,0.001725182],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001107186,"threshold_uncertainty_score":0.003170907,"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."}}