{"id":"W1764256374","doi":"10.1107/s1600536802004580","title":"Diastereomers of 4-(2-hydroxyphenyl)-2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepine","year":2002,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Structure Reports Online","topic":"Analytical Chemistry and Chromatography","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Diastereomer; Conformational isomerism; Chemistry; Ring (chemistry); Hydrogen bond; Intermolecular force; Crystal structure; Stereochemistry; Crystallography; Molecule; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002845494,0.0003828477,0.0006256373,0.0002638527,0.0002397397,0.0004993065,0.000906672,0.0003445952,0.004923553],"category_scores_gemma":[0.0003883244,0.0003932977,0.0001733485,0.0005474396,0.000343177,0.000283204,0.0002065709,0.0006484356,0.001619276],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001153843,"about_ca_system_score_gemma":0.0008591703,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004352295,"about_ca_topic_score_gemma":0.003892226,"domain_scores_codex":[0.9996173,0.00006177662,0.00002483398,0.00006782803,0.0001552457,0.00007303013],"domain_scores_gemma":[0.9998179,0.00002492648,0.00004435395,0.00002235657,0.0000168097,0.00007371237],"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":[0.002877371,0.0004608454,0.00246029,0.0006342676,0.0001775906,0.0008904652,0.0002054517,0.004277456,0.9620699,0.005531635,0.00773948,0.0126752],"study_design_scores_gemma":[0.003695274,0.002064329,0.007552472,0.00005562199,0.0001613974,0.001340527,0.0003126219,0.01162552,0.9038584,0.0008963554,0.06833979,0.00009772162],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9662145,0.005048699,0.003848701,0.0005872084,0.0002960823,0.0003006294,0.006593463,0.0005501744,0.01656054],"genre_scores_gemma":[0.9738553,0.003272376,0.007063561,0.0002273984,0.00006957778,0.0001994105,0.006401042,0.0001042614,0.008807127],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004923553,"threshold_uncertainty_score":0.01647091,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009235762704113923,"score_gpt":0.2156504468236732,"score_spread":0.2064146841195592,"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."}}