{"id":"W4313390562","doi":"10.5155/eurjchem.13.4.435-439.2327","title":"Crystal and molecular structure of Michler’s ketone as a pure phase","year":2022,"lang":"en","type":"article","venue":"European Journal of Chemistry","topic":"Fluorine in Organic Chemistry","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Lethbridge","funders":"University of Lethbridge","keywords":"Chemistry; Crystallography; Dihedral angle; Monoclinic crystal system; Ketone; Ring (chemistry); Crystal structure; Molecule; Synthon; Hydrogen bond; Supramolecular chemistry; Crystal (programming language); Stereochemistry; 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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0005523222,0.0001844181,0.0002827924,0.00003279567,0.0001119568,0.00001095009,0.000466921,0.00006304049,0.007937087],"category_scores_gemma":[0.00016698,0.0001920589,0.0001181773,0.0001318125,0.0001814375,0.00004545123,0.0003048045,0.001496557,0.000002736809],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005781611,"about_ca_system_score_gemma":0.0001404363,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":3.884691e-7,"about_ca_topic_score_gemma":2.18564e-8,"domain_scores_codex":[0.9984819,0.0002949795,0.0005517345,0.0001760351,0.0002846394,0.0002107644],"domain_scores_gemma":[0.9988239,0.00008130218,0.000560795,0.0001860368,0.0001139674,0.0002339893],"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":[0.0005008425,0.0002451789,0.000205225,0.0001315217,0.0002140054,0.001760692,0.0003708285,0.0001476516,0.9892104,0.000007086632,0.005794858,0.001411735],"study_design_scores_gemma":[0.003525226,0.0002043492,0.00002708255,0.00001550264,0.0001423325,0.004754248,0.0003255165,0.00002199298,0.9221151,0.00009220999,0.06862038,0.0001560548],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9902458,0.001831501,0.00001470565,0.000583319,0.0002682198,0.00004957056,0.0001135384,0.00001353818,0.006879789],"genre_scores_gemma":[0.9982905,0.0000478422,0.0001614369,0.0004355573,0.0003193156,4.479731e-7,0.00001337045,0.00004070278,0.0006908642],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.06709527,"threshold_uncertainty_score":0.9929698,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02733914672092625,"score_gpt":0.3553535621353546,"score_spread":0.3280144154144283,"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."}}