{"id":"W4324311424","doi":"10.1107/s2053229623002152","title":"Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide","year":2023,"lang":"en","type":"article","venue":"Acta Crystallographica Section C Structural Chemistry","topic":"Structural and Chemical Analysis of Organic and Inorganic Compounds","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Crandall University; Saint Mary's University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Crystal structure; Chemistry; Group (periodic table); Enantiomer; Stereochemistry; Crystallography; Organic chemistry","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":[0.000169807,0.000311455,0.0002704021,0.0002146598,0.0003234084,0.000686509,0.0009600725,0.0003302317,0.003657138],"category_scores_gemma":[0.000238149,0.0003781277,0.0001152749,0.000486251,0.0002385615,0.0002944371,0.0002648497,0.001037165,0.0008416092],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008933034,"about_ca_system_score_gemma":0.0005643664,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004160543,"about_ca_topic_score_gemma":0.00446421,"domain_scores_codex":[0.9998773,0.000013803,0.000009136597,0.00002106113,0.00005710733,0.00002153643],"domain_scores_gemma":[0.999904,0.00001411598,0.00002320906,0.00000983446,0.00002210982,0.00002676411],"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":[0.001206166,0.0005134965,0.002839087,0.0016609,0.0000739384,0.00114083,0.0007669971,0.02341997,0.8765245,0.02052813,0.02537485,0.0459512],"study_design_scores_gemma":[0.001800734,0.001418904,0.01288576,0.0001830484,0.0001263156,0.001394046,0.0008254756,0.07508658,0.6907202,0.003323195,0.212085,0.0001508758],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9594098,0.005986965,0.006320788,0.0007287886,0.0001737618,0.0001787695,0.008970271,0.0005481552,0.01768277],"genre_scores_gemma":[0.9340611,0.006863629,0.02949341,0.0001374461,0.00005612096,0.0003252677,0.01276368,0.0001384867,0.01616096],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004160543,"threshold_uncertainty_score":0.01223433,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008421926589998251,"score_gpt":0.2214609786193277,"score_spread":0.2130390520293295,"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."}}