{"id":"W4388860110","doi":"10.1021/acs.orglett.3c02958","title":"Unexpected Noremestrin with a Sulfur-Bearing 15-Membered Macrocyclic Lactone from <i>Emericella</i> sp. 1454","year":2023,"lang":"en","type":"article","venue":"Organic Letters","topic":"Microbial Natural Products and Biosynthesis","field":"Medicine","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Chinese Academy of Medical Sciences; National Natural Science Foundation of China","keywords":"Chemistry; Moiety; Stereochemistry; Circular dichroism; Electrospray ionization; Lactone; Mass spectrometry; Sulfur; K562 cells; Crystallography; Organic chemistry; In vitro; Biochemistry","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":[0.0000616322,0.0002759779,0.0001128866,0.0001501493,0.00009735704,0.0001928193,0.0001385966,0.0001747492,0.000448652],"category_scores_gemma":[0.00009871865,0.00007759373,0.000125792,0.000177067,0.0001645193,0.0002253267,0.0002410082,0.0001951874,0.0001316077],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009572887,"about_ca_system_score_gemma":0.0001645856,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000285164,"about_ca_topic_score_gemma":0.0004177458,"domain_scores_codex":[0.9999634,0.000007442908,0.000003946375,0.000009334465,0.000009242852,0.000006595252],"domain_scores_gemma":[0.9999685,0.000004311156,0.00001112905,0.000004551318,0.000003783733,0.000007738789],"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":[0.000130636,0.00001157309,0.000534857,0.00005023102,0.000008070511,0.0002550338,0.00002279902,0.0001177431,0.9956222,0.00007829564,0.00002950177,0.003138974],"study_design_scores_gemma":[0.00001735621,0.0006826585,0.009400027,0.00001285087,0.00002565101,0.0009711878,0.00007080715,0.0003672042,0.9827228,0.00008528194,0.005632298,0.00001191678],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9961089,0.0006163388,0.001293566,0.0000475956,0.0000117904,0.00002622052,0.000356469,0.00002844897,0.001510562],"genre_scores_gemma":[0.9955997,0.0004478423,0.001925667,0.00004551888,0.000005055686,0.00001253885,0.0006104786,0.000006977657,0.001346113],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.000448652,"threshold_uncertainty_score":0.001500845,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01109822511418296,"score_gpt":0.2119368950681124,"score_spread":0.2008386699539294,"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."}}