{"id":"W2017802473","doi":"10.1016/s0301-4622(01)00143-0","title":"Changes in 13C NMR chemical shifts of DNA as a tool for monitoring drug interactions","year":2001,"lang":"en","type":"article","venue":"Biophysical Chemistry","topic":"DNA and Nucleic Acid Chemistry","field":"Biochemistry, Genetics and Molecular Biology","cited_by":10,"is_retracted":false,"has_abstract":false,"ca_institutions":"Boehringer Ingelheim (Canada)","funders":"National Institute of General Medical Sciences; National Institutes of Health","keywords":"Chemistry; Chemical shift; Carbon-13 NMR; Drug; Computational biology; Stereochemistry; Pharmacology; Physical chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00005560485,0.0002033854,0.0002277062,0.00001469185,0.00003125925,0.00001322324,0.0002565884,0.0001405003,0.00004218469],"category_scores_gemma":[0.0001218316,0.0002138065,0.0001541229,0.0001128056,0.0001007312,0.000005876755,0.0001224654,0.0001429871,0.000005451756],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003303541,"about_ca_system_score_gemma":0.00004627142,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001100456,"about_ca_topic_score_gemma":0.000002158179,"domain_scores_codex":[0.9989251,0.000007205465,0.0002340251,0.0004027521,0.000132107,0.000298829],"domain_scores_gemma":[0.9993708,0.00003255172,0.00009441878,0.0003428833,0.00006622959,0.00009308349],"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":[0.0002005194,0.0002308051,0.001451602,0.000114698,0.0000294562,0.000004330421,0.00003256939,0.000001960403,0.996567,0.00000622991,0.0003975492,0.0009633131],"study_design_scores_gemma":[0.0005791711,0.00002805675,0.0003718821,0.00006307109,0.00001710004,0.00001173403,0.0001015683,0.00002863079,0.9910122,0.00007440963,0.007480949,0.0002312629],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9976285,0.00006549413,0.00002535554,0.0002242906,0.00007337369,0.0001111709,0.00002935331,0.00001865208,0.001823835],"genre_scores_gemma":[0.9966819,0.00005367319,0.0003042366,0.00003715018,0.001034649,0.00008486821,0.000106416,0.00002933317,0.001667767],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0070834,"threshold_uncertainty_score":0.8718776,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009446257930971811,"score_gpt":0.2620706298608047,"score_spread":0.2526243719298329,"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."}}