{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002040286,0.0006588434,0.0002848586,0.0004160751,0.0001946267,0.00043891,0.0003543649,0.000364355,0.001437208],"category_scores_gemma":[0.0001773429,0.0001690704,0.0003107284,0.0003862661,0.000221148,0.0004311304,0.0003887443,0.0004821288,0.0008925731],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002071095,"about_ca_system_score_gemma":0.0002981975,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002388986,"about_ca_topic_score_gemma":0.0004331942,"domain_scores_codex":[0.9998686,0.00003090319,0.000008388473,0.00002674046,0.00002600313,0.00003942294],"domain_scores_gemma":[0.9999036,0.00001304194,0.00002691131,0.0000149587,0.00001949796,0.00002193417],"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":[0.00007211621,0.00003673822,0.00008168324,0.00008773133,0.000008174749,0.00009835024,0.00001974762,0.0001982809,0.9904934,0.0004034119,0.00005423879,0.008446258],"study_design_scores_gemma":[0.000009278054,0.0003646383,0.0003321321,0.00000837504,0.00001756868,0.0001557731,0.000008336297,0.0004269028,0.9944911,0.00007203453,0.004107478,0.000006390752],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9269088,0.01122082,0.04541344,0.0003970116,0.0001495631,0.0001807263,0.0005098046,0.0005617255,0.01465812],"genre_scores_gemma":[0.9746656,0.004511766,0.0159764,0.0001234603,0.00003036424,0.00006703258,0.0003177128,0.00003512847,0.004272463],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001437208,"threshold_uncertainty_score":0.004807949,"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."}}