{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00004526856,0.0001691443,0.0001233536,0.00006155808,0.00006501496,0.0001363136,0.0001305926,0.0002048734,0.000959981],"category_scores_gemma":[0.0001490647,0.0000500091,0.00006596024,0.00007156176,0.0001326713,0.00009827411,0.00006546239,0.0002402841,0.0002079164],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002646743,"about_ca_system_score_gemma":0.00009044541,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001066216,"about_ca_topic_score_gemma":0.00112646,"domain_scores_codex":[0.9999447,0.000009347707,0.000003825831,0.000007196586,0.00001878646,0.00001613134],"domain_scores_gemma":[0.9999455,0.0000132539,0.00001901203,0.000004033936,0.000007282146,0.00001100525],"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":[0.0001328211,0.00001082596,0.0001026632,0.00001551463,0.000002841551,0.00004393848,0.000005517239,0.0001479316,0.9979247,0.00007462513,0.00005458109,0.001483939],"study_design_scores_gemma":[0.00001098307,0.0001572573,0.001078297,0.000001699467,0.000004866703,0.0001976657,0.000005998112,0.0005704824,0.9970606,0.00001591608,0.0008934451,0.000002878705],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.996392,0.000588863,0.00125033,0.00005972751,0.00001117917,0.00001007039,0.0001160485,0.0000483017,0.001523404],"genre_scores_gemma":[0.9978685,0.0001432227,0.001044882,0.00003252277,0.000002563125,0.000006297725,0.0001705585,0.000008855149,0.0007224162],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001066216,"threshold_uncertainty_score":0.003211498,"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."}}