{"id":"W2790166941","doi":"","title":"A theoretical study of hydrogen bonding involving biomolecules.","year":2001,"lang":"en","type":"article","venue":"Library and Archives Canada (Government of Canada)","topic":"Various Chemistry Research Topics","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Density functional theory; Biomolecule; Hydrogen bond; Electronic structure; Chemical bond; Chemical physics; Hydrogen; Computational chemistry; Chemistry; Variety (cybernetics); Materials science; Statistical physics; Nanotechnology; Computer science; Molecule; Physics","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005074082,0.0009738096,0.001007608,0.0009134319,0.001207726,0.001258444,0.001711294,0.001612402,0.007810181],"category_scores_gemma":[0.001071912,0.0003320824,0.0007889286,0.001175136,0.002665883,0.002008619,0.001173469,0.001560717,0.001816935],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001022499,"about_ca_system_score_gemma":0.001253546,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003129312,"about_ca_topic_score_gemma":0.00155253,"domain_scores_codex":[0.9997186,0.00006082694,0.00000952921,0.00003599512,0.0001420565,0.00003291086],"domain_scores_gemma":[0.9998071,0.00008551801,0.00001946516,0.00003677242,0.00003008046,0.00002117434],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.000005596255,0.00001910144,0.00008804443,0.0003271065,0.00002101078,0.00009045569,0.00008687092,0.0228254,0.0005610287,0.9612821,0.00645311,0.008240241],"study_design_scores_gemma":[0.000009120722,0.00001755664,0.0001288772,0.00009890981,0.00001086622,0.0001020591,0.00004134877,0.07156926,0.0003069042,0.8844921,0.04321115,0.00001185081],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.03446613,0.1309515,0.4931022,0.01482123,0.004900853,0.0002454589,0.001472093,0.0005323126,0.3195083],"genre_scores_gemma":[0.5879614,0.1058335,0.1777095,0.003893177,0.003404407,0.001312626,0.001705556,0.0004503352,0.1177295],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.007810181,"threshold_uncertainty_score":0.02612764,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005007225226561252,"score_gpt":0.1734157349387528,"score_spread":0.1684085097121916,"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."}}