{"id":"W2037834175","doi":"10.1021/jp903635h","title":"QTAIM Study of an α-Helix Hydrogen Bond Network","year":2009,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":56,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"Natural Sciences and Engineering Research Council of Canada; Atlantic Canada Opportunities Agency","keywords":"Bond; Hydrogen bond; Helix (gastropod); Chemistry; Molecule; Business; Biology; Paleontology","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":[0.0001414487,0.0001312874,0.0002475174,0.00001101546,0.00008002859,0.00001353178,0.0004060595,0.00004573476,0.00009749152],"category_scores_gemma":[0.00002701518,0.0000918955,0.0002268084,0.0001363381,0.0000528103,0.00008532215,0.00002843442,0.0004258814,8.411134e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001840668,"about_ca_system_score_gemma":0.00002792179,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007090257,"about_ca_topic_score_gemma":0.000001252605,"domain_scores_codex":[0.9990894,0.00002507794,0.0003242003,0.00009132839,0.000302968,0.0001670052],"domain_scores_gemma":[0.9990037,0.00007921833,0.0003529817,0.000344513,0.000113891,0.0001057078],"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":[0.0001830552,0.001735354,0.00003119627,0.00001428949,0.0001375309,0.00002264596,0.0008039222,0.002867045,0.993187,0.000008862863,0.000289848,0.0007192602],"study_design_scores_gemma":[0.000819666,0.0005006641,0.0001771009,0.0000613845,0.0003140054,0.0001704059,0.002454918,0.0003535907,0.9926391,0.00144741,0.0009161346,0.0001456212],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9942255,0.000085375,0.00001751529,0.00006310431,0.00001498425,0.00002897368,0.000004526323,0.00001060027,0.005549395],"genre_scores_gemma":[0.9990439,0.000004936917,0.0000222539,0.00003023345,0.0007863631,7.070006e-7,0.000002865693,0.000009656288,0.00009906681],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005450328,"threshold_uncertainty_score":0.374739,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007627938768381556,"score_gpt":0.2603122976608099,"score_spread":0.2526843588924284,"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."}}