{"id":"W4401838412","doi":"10.1016/j.molstruc.2024.139790","title":"Michael addition of ethyl acetoacetate on dibenzylideneacetone derivatives: Synthesis, spectroscopy, antimicrobial and in silico studies","year":2024,"lang":"en","type":"article","venue":"Journal of Molecular Structure","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Agence Universitaire de la Francophonie","keywords":"Chemistry; Antimicrobial; Ethyl acetoacetate; In silico; Michael reaction; Combinatorial chemistry; Organic chemistry; Biochemistry; Catalysis","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001830039,0.0001932436,0.0005001044,0.0001209108,0.00002843883,0.00003245298,0.0001327576,0.000158234,0.0001187111],"category_scores_gemma":[0.0004751521,0.0001280937,0.0001416293,0.0001323644,0.0001419437,0.00008830892,0.00005284827,0.0004365005,4.815543e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006814582,"about_ca_system_score_gemma":0.00003606322,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000003314195,"about_ca_topic_score_gemma":0.000006738928,"domain_scores_codex":[0.9989416,0.00008310242,0.0003889693,0.0002126116,0.0002093948,0.000164313],"domain_scores_gemma":[0.9991626,0.0003569026,0.0002465565,0.0001161448,0.00006999499,0.00004779268],"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":[0.0001927969,0.00004934806,0.0003227367,0.0002805138,0.0002278348,0.0001703248,0.0002019706,0.00004318989,0.9944757,0.00005954669,0.000133395,0.003842617],"study_design_scores_gemma":[0.000206657,0.00007879586,0.002615095,0.0009664385,0.00006419956,0.0001202417,0.0002581904,0.00001875486,0.9942778,0.001128763,0.0001368232,0.0001282326],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9944433,0.004462969,0.00003816114,0.0007297687,0.00009558474,0.00003989563,0.00009275552,0.000009370287,0.00008818611],"genre_scores_gemma":[0.9978249,0.001004306,0.0009649349,0.00006525554,0.0001162106,0.000001262609,0.000002300595,0.00001445463,0.000006374238],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003714385,"threshold_uncertainty_score":0.522351,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01359189990090436,"score_gpt":0.2732395664071172,"score_spread":0.2596476665062128,"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."}}