{"id":"W2883168061","doi":"10.1002/cmdc.201800414","title":"Exploiting the Thiobarbituric Acid Scaffold for Antibacterial Activity","year":2018,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Synthesis and Catalytic Reactions","field":"Chemistry","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Institute of Population and Public Health; Ministerio de Economía y Competitividad; Departament d'Innovació, Universitats i Empresa, Generalitat de Catalunya; King Saud University; National Research Foundation","keywords":"Moiety; Knoevenagel condensation; Thioamide; Chemistry; Antimicrobial; Enamine; Thiobarbituric acid; Acylation; Combinatorial chemistry; Organic chemistry; Schiff base; Antibacterial activity; Bacteria; Myristoylation; Stereochemistry; Biochemistry; Antioxidant; Catalysis; Biology","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":[0.0002045945,0.0001741096,0.0001826771,0.0000176966,0.0003577376,0.00008507198,0.0003172846,0.0001301156,0.000753065],"category_scores_gemma":[0.0002647108,0.0001241861,0.0001694487,0.00009496079,0.0001776763,0.0001357749,0.00007460288,0.0001179954,0.00009284286],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006449921,"about_ca_system_score_gemma":0.00005265388,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001414295,"about_ca_topic_score_gemma":0.000005353096,"domain_scores_codex":[0.9990067,0.000006567027,0.000169594,0.0003078813,0.0001637227,0.0003454919],"domain_scores_gemma":[0.9989651,0.0002174176,0.0001270101,0.0005310669,0.00008364913,0.0000757064],"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":[0.00004162369,0.0000559885,0.00006554095,0.00003669056,0.00004102311,4.676795e-7,0.0002054124,2.337186e-8,0.9801934,0.0001561995,0.002640573,0.01656302],"study_design_scores_gemma":[0.0003027088,0.00001099335,0.0002362695,0.00002922238,0.00004583492,0.0000131531,0.0003436729,0.00006298947,0.9682958,0.0002389002,0.03025809,0.0001624128],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.942979,0.00003733369,0.000211496,0.0006661885,0.000324793,0.00009903096,0.00002296883,0.0001192331,0.05553999],"genre_scores_gemma":[0.9951313,0.000007417741,0.00019516,0.0001151012,0.003037039,0.0001099439,0.00001710279,0.00003424862,0.001352706],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05418728,"threshold_uncertainty_score":0.8245534,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03418832809857907,"score_gpt":0.2676402068340989,"score_spread":0.2334518787355198,"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."}}