{"id":"W2319174653","doi":"10.1021/ol300707j","title":"6-Deoxyerythronolide B Synthase Thioesterase-Catalyzed Macrocyclization Is Highly Stereoselective","year":2012,"lang":"en","type":"article","venue":"Organic Letters","topic":"Microbial Natural Products and Biosynthesis","field":"Medicine","cited_by":49,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"","keywords":"Chemistry; Polyketide; Polyketide synthase; Stereochemistry; Thioesterase; Regioselectivity; Stereoselectivity; Stereospecificity; ATP synthase; Ring (chemistry); Lactone; Nucleophile; Stereoisomerism; Biosynthesis; Substrate (aquarium); Enzyme; Combinatorial chemistry; Catalysis; Biochemistry; Organic 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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0001619892,0.0002330224,0.0003013575,0.0001180587,0.0001152794,0.00003902605,0.0001090835,0.0001165315,0.001229436],"category_scores_gemma":[0.0001274369,0.0001812343,0.0000966406,0.0003361664,0.00006364714,0.0003296791,0.00005382338,0.0002286308,0.0006617303],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002112636,"about_ca_system_score_gemma":0.00004104417,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003494668,"about_ca_topic_score_gemma":0.000004389101,"domain_scores_codex":[0.9986565,0.00005030302,0.0002597615,0.0003388563,0.000211528,0.0004831076],"domain_scores_gemma":[0.9991995,0.00005116834,0.0001117694,0.0003812098,0.00006542352,0.0001909304],"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":[0.00009256447,0.000124019,0.002693235,0.00005351787,0.0001053699,0.00001016973,0.0007423177,4.87686e-8,0.971808,0.00002265434,0.02289434,0.001453787],"study_design_scores_gemma":[0.0007063549,0.00003317807,0.006639934,0.00006483447,0.0002002676,0.0001321113,0.000059215,0.000004899501,0.9859758,0.000003285191,0.005938152,0.00024194],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9714212,0.0002979575,0.0003293837,0.02689669,0.0004172463,0.0003670572,0.0000175827,0.0001228554,0.0001299889],"genre_scores_gemma":[0.9817118,0.00004447903,0.0005329483,0.01638405,0.0008605744,0.000001624909,0.00005626387,0.00005084945,0.0003574193],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01695619,"threshold_uncertainty_score":0.9996836,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01096452701968398,"score_gpt":0.2323303614898606,"score_spread":0.2213658344701766,"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."}}