{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","research_integrity","insufficient_payload"],"consensus_categories":["metaepi_narrow","research_integrity"],"category_scores_codex":[0.0002911486,0.001731343,0.001585026,0.0006770551,0.0005807928,0.0005358778,0.001091407,0.001707276,0.007145954],"category_scores_gemma":[0.0004925313,0.001627608,0.001009692,0.001755961,0.0007091836,0.001167551,0.0006169579,0.002888761,2.253975e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003277813,"about_ca_system_score_gemma":0.0003165395,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008360042,"about_ca_topic_score_gemma":0.0003606251,"domain_scores_codex":[0.9911,0.0001250995,0.002623938,0.002489146,0.00178225,0.001879547],"domain_scores_gemma":[0.9930623,0.0002920395,0.001860216,0.002716291,0.000972632,0.001096535],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0001442575,0.0002778098,0.003513295,0.0003075928,0.0004524935,0.0002876505,0.00009584174,0.0003491204,0.9890216,0.000003000381,0.004925138,0.0006222212],"study_design_scores_gemma":[0.002242233,0.0001941445,0.003451187,0.0002403888,0.0003728944,0.005485286,0.0002272422,0.0005316574,0.02835556,0.01023546,0.9457454,0.002918557],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9875327,0.0006138629,0.0001134312,0.001608799,0.0015974,0.0008449049,0.0003694259,0.001662192,0.005657257],"genre_scores_gemma":[0.9900204,0.0002033455,0.001988633,0.000805375,0.002622939,0.0001458555,0.002534927,0.0003589022,0.001319619],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.960666,"threshold_uncertainty_score":0.9995887,"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."}}