{"id":"W2083708442","doi":"10.1016/j.tetlet.2005.07.095","title":"Weak C–H⋯O hydrogen bonds between diacylamidopyridine and thymine derivatives in solution and its influence on the binding constants","year":2005,"lang":"en","type":"article","venue":"Tetrahedron Letters","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":18,"is_retracted":false,"has_abstract":false,"ca_institutions":"Institute for Microstructural Sciences; National Research Council Canada","funders":"","keywords":"Chemistry; Thymine; Hydrogen bond; Titration; Pyridine; Crystallography; Hydrogen; Stereochemistry; Computational chemistry; Molecule; Inorganic chemistry; Medicinal chemistry; Organic chemistry; DNA","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":[0.0001142226,0.000160352,0.0001393131,0.0001253704,0.0001419789,0.00004032979,0.00009858282,0.00006237342,0.00006018077],"category_scores_gemma":[0.00007702431,0.0001341699,0.00003357012,0.0001596792,0.0001471878,0.0001822563,0.00004693379,0.0002677582,0.000004667914],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005514233,"about_ca_system_score_gemma":0.00000829951,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002254255,"about_ca_topic_score_gemma":0.00003024028,"domain_scores_codex":[0.9991462,0.00002868944,0.0001948384,0.0002553708,0.0001312375,0.0002437041],"domain_scores_gemma":[0.9994866,0.0002260378,0.00007161135,0.000147192,0.00001163222,0.00005696415],"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":[0.00001363502,0.00002342591,0.02511392,0.00001924329,0.00003613854,0.0000061396,0.0003701056,0.00006797953,0.9730728,0.0002276869,0.0001217761,0.0009272034],"study_design_scores_gemma":[0.001544589,0.00008985766,0.0723142,0.0004738031,0.00007669003,0.00005509436,0.0008317722,0.0009305805,0.9132711,0.00006629121,0.009661589,0.0006844286],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9929442,0.0002678518,0.00001968974,0.005528516,0.00001111796,0.00009050976,0.0000340808,0.00004099096,0.001063038],"genre_scores_gemma":[0.9991512,0.00006993367,0.00003536759,0.0005905764,0.00006240814,0.00001831178,0.00001536123,0.0000140643,0.00004275068],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05980163,"threshold_uncertainty_score":0.5471289,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0146908563578883,"score_gpt":0.2441814577881322,"score_spread":0.2294906014302439,"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."}}