{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002272641,0.0003400059,0.0003365559,0.000104573,0.0002625555,0.0003368015,0.0003896027,0.000227294,0.00300397],"category_scores_gemma":[0.0005961413,0.0001940088,0.00009864507,0.0001799092,0.0004022794,0.0003245899,0.0002567975,0.0006566578,0.0003319204],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002917314,"about_ca_system_score_gemma":0.0003870322,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001843866,"about_ca_topic_score_gemma":0.001537313,"domain_scores_codex":[0.999869,0.00002778914,0.000005333739,0.00002650991,0.00002682074,0.00004455871],"domain_scores_gemma":[0.9996946,0.0001708196,0.00003234017,0.00001212623,0.00003274527,0.00005739119],"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":[0.001060603,0.00004501914,0.0004231834,0.0001739627,0.00003416153,0.0001623705,0.0001491905,0.001752755,0.9862313,0.0008000038,0.0004990077,0.008668457],"study_design_scores_gemma":[0.0001462074,0.0005348851,0.002155218,0.00002420243,0.00006733389,0.0001351304,0.0002324104,0.007321933,0.9840081,0.0005631742,0.004765741,0.00004574255],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9930953,0.002721851,0.001560191,0.0001465671,0.00006621669,0.000009259988,0.00009670835,0.00002515425,0.002278649],"genre_scores_gemma":[0.9976591,0.001011363,0.0004765423,0.00005387979,0.00001067674,0.000008011274,0.00008158651,0.000009396027,0.0006894788],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00300397,"threshold_uncertainty_score":0.01004934,"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."}}