{"id":"W2001885206","doi":"10.1016/j.bmcl.2009.07.094","title":"2,3,4,5-Tetrahydro-1H-pyrido[2,3-b and e][1,4]diazepines as inhibitors of the bacterial enoyl ACP reductase, FabI","year":2009,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":28,"is_retracted":false,"has_abstract":false,"ca_institutions":"Monsanto (Canada)","funders":"","keywords":"Chemistry; Stereochemistry; Enzyme; Amide; Enzyme inhibitor; Biochemistry; Combinatorial chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001835608,0.0002218904,0.0003046261,0.0002365768,0.0001419766,0.0002539355,0.0002897006,0.0002495887,0.001510684],"category_scores_gemma":[0.0001298637,0.0001438771,0.000102186,0.0001595468,0.0001733675,0.0001979545,0.0001184926,0.0004232662,0.0004778634],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000353983,"about_ca_system_score_gemma":0.0001990421,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008803214,"about_ca_topic_score_gemma":0.002238463,"domain_scores_codex":[0.9999102,0.00002378499,0.000004968716,0.00001050704,0.00002072523,0.00002974456],"domain_scores_gemma":[0.999965,0.000008528988,0.000005132537,0.000003941409,0.000004765704,0.00001264962],"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":[0.001150082,0.0001899453,0.000204453,0.0001370316,0.00001837629,0.0002930238,0.00005902407,0.001231836,0.9794404,0.001251632,0.0007147729,0.01530955],"study_design_scores_gemma":[0.0002133309,0.001307879,0.001504312,0.00000969355,0.00002413255,0.0003502888,0.00002099996,0.001952384,0.985267,0.0001768291,0.009162811,0.00001038372],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9586325,0.01865644,0.00625342,0.0003895817,0.0002050179,0.00009445508,0.000791675,0.0003578366,0.01461905],"genre_scores_gemma":[0.9806554,0.008016836,0.002880045,0.0001009152,0.0000485673,0.00003447503,0.0004150426,0.00002529847,0.0078235],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001510684,"threshold_uncertainty_score":0.005053699,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.002833986320606708,"score_gpt":0.193905084779969,"score_spread":0.1910710984593623,"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."}}