{"id":"W4407408675","doi":"10.1134/s1068162025010042","title":"Design, Synthesis, and Molecular Docking of Novel Benzothiazinone Derivatives as DprE1 Inhibitors with Potential Antitubercular Activities","year":2025,"lang":"en","type":"article","venue":"Russian Journal of Bioorganic Chemistry","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Horizon College and Seminary","funders":"","keywords":"Bioorganic chemistry; Docking (animal); Chemistry; Computational biology; Combinatorial chemistry; Stereochemistry; Biochemistry; Nanotechnology; Biology; Enzyme; Medicine; Materials 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":[],"consensus_categories":[],"category_scores_codex":[0.000260826,0.0002754322,0.0005668758,0.00005770427,0.00009534854,0.00005530009,0.0002776396,0.0002468198,0.0002917345],"category_scores_gemma":[0.0002609288,0.0001973463,0.0001516015,0.0001913228,0.0003056917,0.000139982,0.0001037044,0.0003499312,2.927204e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006327106,"about_ca_system_score_gemma":0.0002213414,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007980389,"about_ca_topic_score_gemma":2.033705e-7,"domain_scores_codex":[0.9986653,0.00003610614,0.000489109,0.0002732479,0.0002933814,0.0002428457],"domain_scores_gemma":[0.9987812,0.000239846,0.00057006,0.0002234116,0.00007235362,0.0001131481],"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":[0.0002430162,0.0003056287,0.001051508,0.0003149944,0.0004212132,0.00007572065,0.00005552318,0.00002549832,0.9956593,0.00004651634,0.000009114287,0.001791992],"study_design_scores_gemma":[0.0006225898,0.00004950423,0.0004236997,0.0009520781,0.0001913182,0.0003781754,0.0005981846,0.00004873829,0.9963284,0.0001324927,0.0000550485,0.0002197418],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9921885,0.001234633,0.004366975,0.0004354447,0.00003085687,0.00004218593,0.00001158742,0.00001748515,0.001672322],"genre_scores_gemma":[0.9977235,0.0001499309,0.001945473,0.00002835274,0.00009468586,0.000002149808,0.000001164423,0.0000193609,0.00003535137],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00553502,"threshold_uncertainty_score":0.8047549,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007988164964519588,"score_gpt":0.212518461696645,"score_spread":0.2045302967321254,"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."}}