{"id":"W7117749128","doi":"10.1038/s42004-025-01856-w","title":"Trimorphism of a binary cocrystal system with hydrogen-bonded zig-zag, double helix and quadruple helix structures","year":2025,"lang":"en","type":"article","venue":"Communications Chemistry","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Sherbrooke","funders":"Division of Chemistry; Division of Materials Research; Consejo Estatal de Ciencia, Tecnología e Innovación; National Science Foundation; Consejo Nacional de Ciencia y Tecnología; Directorate for Mathematical and Physical Sciences; Canada Excellence Research Chairs, Government of Canada","keywords":"Cocrystal; Helix (gastropod); Supramolecular chemistry; Intermolecular force; Hydrogen bond; Non-covalent interactions; Phase (matter); Molecule","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":[0.00007659137,0.0002313814,0.0003048735,0.00008654033,0.0003408061,0.00004647832,0.0007647595,0.0001851419,0.0001232728],"category_scores_gemma":[0.00002493268,0.0002311058,0.0001338287,0.000375297,0.0004350593,0.00007658852,0.0003969393,0.0003919513,0.000001004734],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00008054776,"about_ca_system_score_gemma":0.0001699699,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002270247,"about_ca_topic_score_gemma":0.00005288545,"domain_scores_codex":[0.9988996,0.00002519287,0.0004066647,0.000305741,0.0001537652,0.0002090437],"domain_scores_gemma":[0.997261,0.0001278012,0.0002138813,0.002131053,0.0001743428,0.00009186727],"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":[0.0001486629,0.0001768072,0.000330055,0.0009101239,0.0002696836,0.00000553423,0.0001917955,0.00003773244,0.9953031,0.002146092,0.0002961736,0.0001842468],"study_design_scores_gemma":[0.00188367,0.00001897574,0.0001500814,0.0006447522,0.0002213105,0.0001504189,0.003921446,0.0005676417,0.9770033,0.0001547389,0.01496503,0.0003186328],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9402791,0.004773082,0.0001884547,0.0003205023,0.00002518654,0.0001452697,0.0001575949,0.0001650392,0.05394574],"genre_scores_gemma":[0.9967248,0.0002026655,0.0009972734,0.00002262881,0.00001683601,0.0001134897,0.0003250326,0.00002386901,0.001573436],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05644564,"threshold_uncertainty_score":0.9424221,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01084170254370894,"score_gpt":0.2564714018617146,"score_spread":0.2456296993180057,"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."}}