{"id":"W2033803996","doi":"10.1021/ja109817p","title":"Energetically Important C−H···F−C Pseudohydrogen Bonding in Water: Evidence and Application to Rational Design of Oligonucleotides with High Binding Affinity","year":2010,"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":100,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Oligonucleotide; Hydrogen bond; Fluorine; Pyrimidine; Purine; Rational design; Stereochemistry; Sequence (biology); Crystallography; Computational chemistry; Molecule; DNA; Organic chemistry; Enzyme; Nanotechnology; Biochemistry","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":[0.0003718541,0.00009918233,0.0001874912,0.00001236712,0.00003771247,0.00001171806,0.000255084,0.00005916041,0.000003238676],"category_scores_gemma":[0.0001143541,0.00005961201,0.00009017107,0.0001240348,0.0002831673,0.000008305678,0.0001186648,0.0001941938,1.998344e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002045081,"about_ca_system_score_gemma":0.00006277521,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001357179,"about_ca_topic_score_gemma":0.00000150505,"domain_scores_codex":[0.9991871,0.00002177755,0.0003072747,0.0001490356,0.0001849455,0.0001499073],"domain_scores_gemma":[0.9993172,0.00004579118,0.0002977183,0.0001631746,0.00008712496,0.00008900597],"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":[0.0001304706,0.00004331252,0.01179736,0.000009786817,0.0000341306,6.113467e-7,0.00006266973,0.00009460315,0.9874536,0.00002581494,0.0001745185,0.0001730573],"study_design_scores_gemma":[0.0001842518,0.0001077772,0.002008045,0.00003034384,0.00002302213,0.00005104594,0.00008648107,0.00009560551,0.9971325,0.00007583691,0.000117636,0.00008740504],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9977946,0.00002777969,0.00128159,0.0007998365,0.00001630657,0.00006926514,0.000002192382,0.000001889369,0.000006521306],"genre_scores_gemma":[0.9821629,0.00005474563,0.01747211,0.0001789991,0.0001042841,0.000004078789,0.000001912298,0.00001049152,0.00001047033],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01619052,"threshold_uncertainty_score":0.2430907,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005849174984292789,"score_gpt":0.2301646727244577,"score_spread":0.2243154977401649,"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."}}