{"id":"W2417221488","doi":"10.15273/pnsis.v46i2.4060","title":"THE CRYSTAL STRUCTURE AND QUANTUM MECHANICAL TREATMENT OF THE ANTI-CANCER AGENT FLAVOPIRIDOL (HYDROCHLORIDE) AND THE CHROMONE ALKALOID ROHITUKINE","year":2011,"lang":"en","type":"article","venue":"Proceedings of the Nova Scotian Institute of Science","topic":"Synthesis of Organic Compounds","field":"Medicine","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Toronto Metropolitan University; University of Saskatchewan","funders":"Shandong University","keywords":"Chemistry; Methanol; Molecule; Protonation; Chromone; Counterion; Crystal structure; Hydrochloride; Conformational isomerism; Crystallography; Stereochemistry; Medicinal chemistry; Organic chemistry; Ion","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":true,"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":[0.0001385266,0.00009508375,0.0002383223,0.0001043752,0.0004417872,0.000334269,0.0006925397,0.0003201292,0.001654285],"category_scores_gemma":[0.0002068599,0.0001453873,0.0001061995,0.0002882611,0.0003707142,0.0001932342,0.0001568848,0.0005092509,0.0002906581],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006125681,"about_ca_system_score_gemma":0.0005284265,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003887611,"about_ca_topic_score_gemma":0.002564346,"domain_scores_codex":[0.9998728,0.000014656,0.00000374456,0.00001608257,0.00007704857,0.00001577388],"domain_scores_gemma":[0.9999279,0.00001728161,0.00001501023,0.000009936892,0.00002040692,0.000009510194],"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":[0.0008439407,0.0003141703,0.003915074,0.0008266325,0.00005334682,0.0005418803,0.0003546788,0.02456964,0.8787383,0.02269129,0.009292754,0.05785843],"study_design_scores_gemma":[0.0009542893,0.001778395,0.02132118,0.00007374193,0.00007578693,0.001407053,0.0004304212,0.1329464,0.7166241,0.004917074,0.1193656,0.0001060193],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9835386,0.002262476,0.003747873,0.0005782922,0.00004219385,0.00004829481,0.0008558473,0.000104946,0.008821403],"genre_scores_gemma":[0.9855078,0.001197266,0.007159126,0.00006077641,0.00002115722,0.00006876737,0.001750625,0.00002536362,0.004209161],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003887611,"threshold_uncertainty_score":0.007730007,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03118570453127553,"score_gpt":0.2601027926595179,"score_spread":0.2289170881282423,"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."}}