{"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":"codex-gemma-dda1882f352a","candidate_categories":["sts"],"consensus_categories":[],"category_scores_codex":[0.0007119601,0.0002326709,0.0004707272,0.00008033676,0.0005098633,0.00004533802,0.001042683,0.00006623829,0.00002024211],"category_scores_gemma":[0.0005135507,0.00009212869,0.0001319642,0.0007059187,0.008113311,0.000292094,0.000514804,0.0001662624,3.014205e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009561363,"about_ca_system_score_gemma":0.0002857281,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004638314,"about_ca_topic_score_gemma":0.00007732687,"domain_scores_codex":[0.9979929,0.000009825078,0.0004819043,0.0003860963,0.0008150439,0.000314269],"domain_scores_gemma":[0.9985446,0.00006643641,0.0005278778,0.0004288919,0.0003304997,0.0001016981],"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":[0.0003149682,0.0001281408,0.005456425,0.0001163619,0.0001101608,3.895345e-7,0.00257088,0.000001255914,0.9785836,0.01095262,0.0001115705,0.001653616],"study_design_scores_gemma":[0.001634586,0.0002366526,0.04096606,0.0003301565,0.0002306282,0.0001218652,0.0005457522,0.0002960116,0.9533905,0.001516045,0.0006202279,0.0001114565],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9925462,0.0007668254,0.000006086183,0.004163783,0.001353041,0.0007793833,0.00001275467,0.00001233058,0.0003596144],"genre_scores_gemma":[0.9988464,0.0004521467,0.0003790012,0.0000760928,0.0001011914,0.00000853032,1.166778e-7,0.00001359832,0.0001229267],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03550964,"threshold_uncertainty_score":0.9945861,"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."}}