{"id":"W3000428354","doi":"10.1002/cbdv.201900509","title":"Novel <i>N</i>‐Acyl‐1<i>H</i>‐imidazole‐1‐carbothioamides: Design, Synthesis, Biological and Computational Studies","year":2020,"lang":"en","type":"article","venue":"Chemistry & Biodiversity","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":27,"is_retracted":false,"has_abstract":true,"ca_institutions":"Laurentian University; Canadian Standards Association","funders":"Higher Education Commission Mauritius","keywords":"Chemistry; Imidazole; Antifungal; Combinatorial chemistry; Antioxidant; Docking (animal); Computational simulation; Molecular model; Stereochemistry; Organic chemistry; Computer science","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0001612835,0.0003138576,0.0004563066,0.000008615472,0.000289251,0.00004718508,0.0003189242,0.0002729992,0.0008413572],"category_scores_gemma":[0.001030665,0.0002476046,0.0001402322,0.000106959,0.0005742837,0.00008452925,0.0004394898,0.0002590666,0.00004967422],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006274178,"about_ca_system_score_gemma":0.00003283019,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005938702,"about_ca_topic_score_gemma":1.812542e-7,"domain_scores_codex":[0.9985393,0.00002944379,0.0002312957,0.0006769038,0.000214,0.0003091035],"domain_scores_gemma":[0.9983382,0.001002282,0.0001459255,0.0001565707,0.00009507537,0.0002619031],"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":[0.0002025061,0.0001787268,0.02346977,0.000181875,0.0001765362,0.00002661912,0.000114626,0.00004821099,0.9727417,0.000004142265,0.00122502,0.001630265],"study_design_scores_gemma":[0.0004459861,0.00002945288,0.002860538,0.00005348474,0.00009282753,0.00002737499,0.0007480325,0.0004361775,0.9915127,0.0001268112,0.003133199,0.0005334061],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9947535,0.0008125699,0.0006595267,0.001972884,0.00002526285,0.00006909627,0.0002953584,0.0001780106,0.001233827],"genre_scores_gemma":[0.9959388,0.0003112298,0.002916817,0.0006285873,0.0001420378,0.000007962633,0.00003122306,0.000005379534,0.00001797298],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02060924,"threshold_uncertainty_score":0.9999976,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1290987402311046,"score_gpt":0.2488074908639669,"score_spread":0.1197087506328623,"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."}}