{"id":"W2059979957","doi":"10.1107/s1600536813003978","title":"2,2′-[(1<i>S</i>,2<i>S</i>)-1,2-Bis(2-hydroxyphenyl)ethane-1,2-diyl]bis(isoindoline-1,3-dione) ethanol monosolvate hemihydrate","year":2013,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Structure Reports Online","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Dihedral angle; Isoindoline; Isoindole; Chemistry; Benzene; Hydrogen bond; Ring (chemistry); Ethanol; Solvent; Hemihydrate; Medicinal chemistry; Planar; Crystal structure; Crystallography; Molecule; Organic chemistry; Materials science; Computer science","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":[0.00006297063,0.0001697256,0.000176637,0.00007166448,0.00007887284,0.0001298808,0.0002874709,0.0001134325,0.00217889],"category_scores_gemma":[0.00004928667,0.00007552563,0.00005958197,0.00008358598,0.0001017496,0.0001487883,0.00006495274,0.0002235438,0.0005617876],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001514122,"about_ca_system_score_gemma":0.0001667454,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007402463,"about_ca_topic_score_gemma":0.001034777,"domain_scores_codex":[0.9999626,0.000004212942,0.000001923396,0.000008644744,0.000007774212,0.00001495963],"domain_scores_gemma":[0.9999813,0.000002144009,0.000004044481,0.00000199703,0.000001940808,0.000008582433],"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":[0.00030403,0.00005278456,0.0001055251,0.00009561038,0.000006429266,0.00009694503,0.00001564391,0.0001444592,0.9943179,0.0005880761,0.0004121911,0.003860394],"study_design_scores_gemma":[0.00007079383,0.0005221703,0.00133401,0.000006303609,0.000009473348,0.0002031812,0.00001802113,0.0006995656,0.9878897,0.00005604661,0.009182515,0.000008323676],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9774224,0.002507508,0.003762958,0.0001492359,0.0001295196,0.00005333486,0.0007294292,0.0003104728,0.01493513],"genre_scores_gemma":[0.990835,0.0008402881,0.001689075,0.00005324471,0.00001366153,0.00001731043,0.000402633,0.00002987476,0.006118916],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00217889,"threshold_uncertainty_score":0.007289052,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007033322108133816,"score_gpt":0.2208078903014464,"score_spread":0.2137745681933126,"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."}}