{"id":"W1988547395","doi":"10.1107/s0108270104009539","title":"Three hexahydropyridopyrimidine-spiro-cyclohexanetriones: supramolecular structures generated by O—H...O, N—H...O, C—H...O and C—H...π hydrogen bonds, and π–π stacking interactions","year":2004,"lang":"en","type":"article","venue":"Acta Crystallographica Section C Crystal Structure Communications","topic":"Synthesis and Characterization of Heterocyclic Compounds","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Guelph","funders":"University of Southampton; Engineering and Physical Sciences Research Council; Departamento Administrativo de Ciencia, Tecnología e Innovación (COLCIENCIAS)","keywords":"Stacking; Hydrogen bond; Supramolecular chemistry; Chemistry; Crystallography; Stereochemistry; Crystal structure; 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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","sts"],"consensus_categories":[],"category_scores_codex":[0.0001245078,0.0006450918,0.0005342214,0.0004174099,0.001524959,0.0004934801,0.0007912598,0.0004016375,0.0005439613],"category_scores_gemma":[0.0001084755,0.0006590676,0.0001602691,0.0006959192,0.00068097,0.0006049366,0.0006164921,0.0009068555,2.978029e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001815639,"about_ca_system_score_gemma":0.00007494129,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005782166,"about_ca_topic_score_gemma":0.001464171,"domain_scores_codex":[0.9972548,0.0000916566,0.0008182962,0.0008679903,0.0004284176,0.0005388797],"domain_scores_gemma":[0.9970747,0.0002333538,0.0004684887,0.001659996,0.0002024042,0.0003610477],"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":[0.0000482854,0.0001178512,0.002050518,0.00007243718,0.0002570829,0.000003345666,0.000311205,0.0001315187,0.9950534,0.0005232618,0.0003568966,0.001074188],"study_design_scores_gemma":[0.00509186,0.000315848,0.01037733,0.0003726638,0.0007391472,0.001900128,0.001892081,0.004590324,0.04875025,0.02502017,0.8976455,0.003304717],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9916613,0.002287474,0.002036857,0.002065884,0.0001187759,0.0002970136,0.0004551537,0.0004078285,0.0006696961],"genre_scores_gemma":[0.9944083,0.001890692,0.001725213,0.0002414374,0.0001922279,0.00006914037,0.00133038,0.0001079691,0.00003465957],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.9463031,"threshold_uncertainty_score":0.9997749,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01315410104898412,"score_gpt":0.2364885583592708,"score_spread":0.2233344573102867,"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."}}