{"id":"W1999789587","doi":"10.1002/chin.200526004","title":"Predicted High‐Energy Molecules: Helical All‐Nitrogen and Helical Nitrogen‐Rich Ring Clusters","year":2005,"lang":"en","type":"article","venue":"ChemInform","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"","keywords":"Chemistry; Nitrogen; Ring (chemistry); Molecule; Crystallography; Computational chemistry; Organic chemistry","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":[0.0001224047,0.0004089399,0.0003588683,0.0002907543,0.0007455053,0.0006523352,0.0008599398,0.0009404388,0.009945373],"category_scores_gemma":[0.0004271315,0.0002369446,0.000310897,0.0002872087,0.0003593616,0.000577716,0.0002631465,0.0003974578,0.0009302421],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007022794,"about_ca_system_score_gemma":0.0006152302,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004279076,"about_ca_topic_score_gemma":0.006625613,"domain_scores_codex":[0.9999138,0.00001242197,0.000001640181,0.00002288174,0.00001892672,0.0000302486],"domain_scores_gemma":[0.9998376,0.00004575294,0.00002322696,0.00002022451,0.0000355474,0.00003761589],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.000840746,0.0001861043,0.0129296,0.0003152966,0.0000763987,0.0009114097,0.0001266851,0.892397,0.02213282,0.05001808,0.01191358,0.008152287],"study_design_scores_gemma":[0.0001998517,0.00008620667,0.004194666,0.00001367353,0.00003197849,0.00009957571,0.0001060091,0.9685124,0.007620348,0.01725357,0.001857614,0.0000242234],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9306173,0.0002863953,0.02153105,0.0006961527,0.0001143995,0.0001014489,0.003727239,0.001088109,0.04183793],"genre_scores_gemma":[0.9944142,0.00004281018,0.00290394,0.00006936993,0.00001205354,0.00003023613,0.001021954,0.00005592155,0.001449432],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009945373,"threshold_uncertainty_score":0.03327054,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006945018646565614,"score_gpt":0.2243078866905845,"score_spread":0.2173628680440189,"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."}}