{"id":"W4386944234","doi":"10.1021/jacs.3c06099","title":"Good Vibrations Report on the DNA Quadruplex Binding of an Excited State Amplified Ruthenium Polypyridyl IR Probe","year":2023,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"DNA and Nucleic Acid Chemistry","field":"Biochemistry, Genetics and Molecular Biology","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"HORIZON EUROPE Climate, Energy and Mobility; Irish Research Council; Laserlab-Europe","keywords":"Chemistry; Nitrile; Thymine; Photochemistry; Ruthenium; Excited state; Guanine; Hydrogen bond; Binding site; Binding energy; DNA; Molecule; Nucleotide","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0004320131,0.0003633751,0.0003991157,0.0002322792,0.0005863039,0.0004795132,0.0005819951,0.0007652336,0.003022077],"category_scores_gemma":[0.0006438519,0.0002526009,0.0003064601,0.0002058597,0.0004149869,0.000432284,0.0002673097,0.001293881,0.001058432],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004599984,"about_ca_system_score_gemma":0.0001823638,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007379554,"about_ca_topic_score_gemma":0.0006501219,"domain_scores_codex":[0.9997051,0.00003459919,0.00001178353,0.00009444161,0.0001084098,0.00004553955],"domain_scores_gemma":[0.9994183,0.0003352809,0.00006701998,0.0000562693,0.00006498116,0.00005824469],"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":[0.00005747224,0.0001003627,0.0002149092,0.0002325052,0.00004210437,0.0001704305,0.0001640461,0.001252185,0.9889138,0.0005634477,0.0007225742,0.007566048],"study_design_scores_gemma":[0.000004757743,0.0002247399,0.0007009464,0.000004843306,0.00002320472,0.0001288573,0.00002529093,0.004927156,0.9900989,0.0001128781,0.003729521,0.00001895027],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9006088,0.008275665,0.08020889,0.0007105662,0.0002793956,0.00008056989,0.0002267617,0.0009489001,0.008660432],"genre_scores_gemma":[0.9660364,0.002551469,0.01742476,0.0002893051,0.00006292391,0.00006723342,0.0004151909,0.0001453602,0.01300734],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003022077,"threshold_uncertainty_score":0.01010984,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01296019027373975,"score_gpt":0.2622798428848649,"score_spread":0.2493196526111251,"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."}}