{"id":"W2888714818","doi":"10.1021/acsomega.8b00614","title":"High-Energy Nitramine Explosives: A Design Strategy from Linear to Cyclic to Caged Molecules","year":2018,"lang":"en","type":"article","venue":"ACS Omega","topic":"Energetic Materials and Combustion","field":"Engineering","cited_by":45,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Natural Sciences and Engineering Research Council of Canada; China Scholarship Council","keywords":"Explosive material; Molecule; Energy (signal processing); Materials science; Trinitrotoluene; Chemistry; 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00006205733,0.0001756643,0.0001872584,0.0000867895,0.00005166388,0.00005785815,0.0001867632,0.0000785775,0.00006972596],"category_scores_gemma":[0.00003202241,0.0001716312,0.00002343613,0.0001886074,0.00001554543,0.00007166847,0.00003987101,0.00004814528,0.0002169496],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003220787,"about_ca_system_score_gemma":0.00001089111,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005387309,"about_ca_topic_score_gemma":0.0001114912,"domain_scores_codex":[0.9991565,0.00004090412,0.0002013684,0.0002123536,0.0001292604,0.00025957],"domain_scores_gemma":[0.9994537,0.00004032721,0.00001726889,0.0002813269,0.00005294117,0.0001543882],"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":[0.00004402595,0.00002706037,0.000004114106,0.00001094792,0.00004237609,0.00001232948,0.0003546643,0.08802173,0.9011381,0.001894563,0.004377151,0.00407298],"study_design_scores_gemma":[0.0002551359,0.0002725678,0.000391626,0.00004282414,0.00001833233,0.000001129128,0.00008316941,0.002621295,0.9913557,0.001941175,0.002721443,0.0002956181],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7568294,0.00005502942,0.242061,0.00006882562,0.0003686932,0.00008490153,0.00001868566,0.0002024455,0.0003109854],"genre_scores_gemma":[0.9801867,0.00003015353,0.01850191,0.0002973661,0.0006067275,0.00007377328,0.00003077991,0.00004886119,0.0002237084],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2235591,"threshold_uncertainty_score":0.6998919,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01728365751312529,"score_gpt":0.2166789620534131,"score_spread":0.1993953045402878,"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."}}