{"id":"W4327710985","doi":"10.1021/acs.joc.3c00113","title":"1,3,5,8-Tetrasubstituted 1,3,4-Benzotriazepin-2-one Scaffolds for β-Turn Mimicry without Stereogenic Carbon Centers: Synthesis and Conformational Analysis","year":2023,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"Natural Sciences and Engineering Research Council of Canada; Fonds de recherche du Québec – Nature et technologies; Canadian Institutes of Health Research","keywords":"Stereocenter; Turn (biochemistry); Mimicry; Residue (chemistry); Chemistry; Stereochemistry; Peptide; Chirality (physics); Molecular mimicry; Combinatorial chemistry; Enantioselective synthesis; Biology; Organic chemistry; Catalysis; Biochemistry; Physics; Ecology; Chiral symmetry","routes":{"ca_aff":true,"ca_fund":true,"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":[0.00008376687,0.0002751304,0.0002009607,0.0001227313,0.00007082213,0.0001631229,0.0002108406,0.0001873792,0.0006188125],"category_scores_gemma":[0.000101934,0.0001243101,0.0001500697,0.0001136186,0.0001040884,0.0001909418,0.0001154257,0.0002627399,0.0002815561],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001765619,"about_ca_system_score_gemma":0.0001254829,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000164359,"about_ca_topic_score_gemma":0.0004849496,"domain_scores_codex":[0.999944,0.000008068487,0.000003695569,0.0000125604,0.00001307898,0.0000185893],"domain_scores_gemma":[0.999929,0.000007127726,0.00003189889,0.000006246766,0.00001005153,0.00001565098],"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":[0.0000448387,0.00001695054,0.00005101822,0.00003274645,0.000003646217,0.00005107927,0.00001032439,0.0002960785,0.998158,0.0000905207,0.00001558521,0.00122901],"study_design_scores_gemma":[0.00001352124,0.0006135145,0.0007315251,0.000003747393,0.00001106754,0.0001622503,0.00001255589,0.0009998514,0.9961825,0.00003327089,0.001228586,0.000007595837],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9911802,0.001027752,0.005533502,0.00004233881,0.00001839792,0.00004598373,0.0001677964,0.00007035768,0.001913593],"genre_scores_gemma":[0.9935476,0.0008216168,0.004292299,0.00002703199,0.000004447919,0.0000274052,0.0002083563,0.00001169582,0.001059615],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0006188125,"threshold_uncertainty_score":0.002070129,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01191047232857665,"score_gpt":0.2332997283161322,"score_spread":0.2213892559875555,"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."}}