{"id":"W4328053181","doi":"10.1016/j.bbagen.2023.130347","title":"Interaction of an anticancer benzopyrane derivative with DNA: Biophysical, biochemical, and molecular modeling studies","year":2023,"lang":"en","type":"article","venue":"Biochimica et Biophysica Acta (BBA) - General Subjects","topic":"Cancer therapeutics and mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":10,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Toronto","funders":"","keywords":"Computational biology; Derivative (finance); DNA; Chemistry; Biophysics; Nanotechnology; Biology; Biochemistry; Materials science","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":[0.0001516903,0.0001671998,0.0002308648,0.00009779548,0.000252931,0.0001842996,0.0003260554,0.0003303312,0.001217334],"category_scores_gemma":[0.0002941616,0.0001441951,0.0001810452,0.0001636579,0.0001574792,0.0002655785,0.0001176154,0.0004028948,0.0002463824],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003545658,"about_ca_system_score_gemma":0.0002511446,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002441328,"about_ca_topic_score_gemma":0.001703176,"domain_scores_codex":[0.9998835,0.00002533841,0.000003824871,0.00002175171,0.00004203453,0.00002346848],"domain_scores_gemma":[0.999893,0.0000465113,0.00002312547,0.000006475669,0.00001513486,0.00001578141],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0002795977,0.0001671976,0.0007078598,0.0001248221,0.00002855244,0.0001356895,0.00009924079,0.010231,0.9851097,0.0005055209,0.000136643,0.002474171],"study_design_scores_gemma":[0.00003103072,0.0007219095,0.00249343,0.000009540634,0.00003115024,0.0001413731,0.00007033102,0.03378055,0.9599234,0.00006364485,0.002717559,0.00001608859],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9960645,0.0007097932,0.001950855,0.00009194544,0.000007579706,0.00001498124,0.0000676012,0.00002225063,0.001070422],"genre_scores_gemma":[0.996362,0.0006297708,0.001397789,0.00002342415,0.000003260262,0.00001194077,0.0001469811,0.000007266422,0.001417545],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002441328,"threshold_uncertainty_score":0.004854262,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02711884508716814,"score_gpt":0.3071370649689624,"score_spread":0.2800182198817943,"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."}}