{"id":"W2075084974","doi":"10.1155/2014/371629","title":"Hydrogen Bonds between Acidic Protons from Alkynes (C–H···O) and Amides (N–H···O) and Carbonyl Oxygen Atoms as Acceptor Partners","year":2014,"lang":"en","type":"article","venue":"Journal of Crystallography","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Sherbrooke; Cégep de Sherbrooke","funders":"Natural Sciences and Engineering Research Council of Canada; Fonds Québécois de la Recherche sur la Nature et les Technologies","keywords":"Crystallography; Chemistry; Molecule; Hydrogen bond; Antiparallel (mathematics); Dipole; Acceptor; Orthorhombic crystal system; Amide; Carboxylate; Stacking; Stereochemistry; Crystal structure; Physics; Organic chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001176895,0.0002866332,0.000454518,0.00008507137,0.0001789891,0.0002988708,0.0005056472,0.0002466497,0.002547581],"category_scores_gemma":[0.0001041008,0.0002393772,0.00009627375,0.0002519255,0.0002017128,0.0002604779,0.0001710095,0.0005176836,0.0007589228],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002679857,"about_ca_system_score_gemma":0.0003137172,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007772716,"about_ca_topic_score_gemma":0.00165572,"domain_scores_codex":[0.9999487,0.000006441119,0.000002477307,0.00001174639,0.00001625618,0.00001438613],"domain_scores_gemma":[0.9999381,0.000009221102,0.00001779487,0.000005723034,0.000005322127,0.00002381393],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0005488115,0.00006983367,0.0006136835,0.0003826967,0.00002517128,0.0003299484,0.00007609032,0.0009153586,0.9860682,0.002593203,0.001835799,0.006541212],"study_design_scores_gemma":[0.0007109754,0.0008300084,0.003515011,0.00004472235,0.00004779517,0.0003645648,0.0001138107,0.00472934,0.9521255,0.0005577692,0.03693745,0.0000230689],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9783041,0.002321441,0.003946775,0.0003047921,0.0001566335,0.0001003956,0.001201567,0.0001837379,0.01348061],"genre_scores_gemma":[0.9775169,0.002110054,0.00848878,0.00009479586,0.00003362547,0.00008562222,0.001278324,0.00004944459,0.01034247],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002547581,"threshold_uncertainty_score":0.00852257,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009841276597083174,"score_gpt":0.2612640395329361,"score_spread":0.251422762935853,"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."}}