{"id":"W2345740097","doi":"10.1021/acs.inorgchem.6b00359","title":"CF<sub>3</sub> Derivatives of the Anticancer Ru(III) Complexes KP1019, NKP-1339, and Their Imidazole and Pyridine Analogues Show Enhanced Lipophilicity, Albumin Interactions, and Cytotoxicity","year":2016,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":67,"is_retracted":false,"has_abstract":true,"ca_institutions":"BC Cancer Agency; Simon Fraser University","funders":"Natural Sciences and Engineering Research Council of Canada; Simon Fraser University","keywords":"Chemistry; Lipophilicity; Trifluoromethyl; Indazole; Human serum albumin; Imidazole; Ligand (biochemistry); Pyridine; Solubility; Stereochemistry; Iodide; Medicinal chemistry; Alkyl; Organic chemistry; Chromatography","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":[],"consensus_categories":[],"category_scores_codex":[0.0001573341,0.0002531395,0.0004908132,0.0000244999,0.0001420723,0.00002965519,0.0001279056,0.00008132697,0.0001162604],"category_scores_gemma":[0.0003189227,0.0001352959,0.00006691092,0.0001205653,0.0006851529,0.0001162401,0.0002839577,0.0001662983,0.000001319225],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003586053,"about_ca_system_score_gemma":0.00004978899,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004186322,"about_ca_topic_score_gemma":0.00004370656,"domain_scores_codex":[0.9988891,0.00005035326,0.0003378159,0.0003536346,0.0001580649,0.0002109864],"domain_scores_gemma":[0.9989308,0.0003259876,0.0001782029,0.000354268,0.0001002868,0.0001104413],"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":[0.0001255346,0.00005943768,0.006916123,0.0002639004,0.0001048884,6.430262e-7,0.0004397986,5.705831e-8,0.9872761,0.00001564153,0.00008478063,0.004713051],"study_design_scores_gemma":[0.0005669665,0.00004772454,0.05107808,0.0005207676,0.00005944081,0.00008015333,0.0003777461,0.00003261992,0.9466769,0.0002521018,0.0001415639,0.0001659998],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9962485,0.001718327,0.00007028969,0.001311114,0.00003802035,0.0001950379,0.00005609725,0.00003099504,0.0003315669],"genre_scores_gemma":[0.9984659,0.001083699,0.00004432346,0.0001345994,0.0001276085,0.00001154528,0.000004430501,0.0000235658,0.0001043284],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04416195,"threshold_uncertainty_score":0.5517205,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0181916595499828,"score_gpt":0.2311140529981436,"score_spread":0.2129223934481608,"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."}}