{"id":"W1975715938","doi":"10.1016/j.procs.2010.04.134","title":"Predictions of thermodynamic properties of energetic materials using COSMO-RS","year":2010,"lang":"en","type":"article","venue":"Procedia Computer Science","topic":"Energetic Materials and Combustion","field":"Engineering","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"Defence Research and Development Canada","funders":"Ministère de la Défense Nationale; National Science Council","keywords":"Computer science; Thermodynamics; Physics","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":[0.0002215992,0.00008553997,0.0001408639,0.0001023154,0.00005016342,0.00003153932,0.0002687309,0.00003582463,0.00001907837],"category_scores_gemma":[0.00001558896,0.00007089476,0.00001757583,0.0002355396,0.000247672,0.0001649527,0.00006705983,0.0000439392,0.000001003269],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001293512,"about_ca_system_score_gemma":0.0000649065,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001968981,"about_ca_topic_score_gemma":0.000002945438,"domain_scores_codex":[0.999271,0.000007290453,0.0002416109,0.0001328408,0.0001909198,0.0001563443],"domain_scores_gemma":[0.9995918,0.000006282361,0.00005875522,0.0001752088,0.0001284437,0.00003956322],"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":[0.000001894362,0.00001377375,0.00005226496,0.0001335021,0.00000306747,1.053039e-7,0.0001543561,0.03096361,0.9672328,0.0007376701,0.000003031618,0.0007039454],"study_design_scores_gemma":[0.00004074998,0.00001441128,0.0009626806,0.00004163607,0.000004864547,0.000005024709,0.000002919795,0.369424,0.6293069,0.0001409501,0.000003599259,0.00005233013],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9524262,0.00002769699,0.04566306,0.000005628331,0.001643821,0.00008480347,0.000004694374,0.00007438586,0.00006968968],"genre_scores_gemma":[0.9847326,0.00000990533,0.01513539,0.000003718191,0.00009796927,0.000007711556,6.60114e-7,0.0000096644,0.000002399091],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3384604,"threshold_uncertainty_score":0.2891005,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009002076868457503,"score_gpt":0.1876248311439311,"score_spread":0.1786227542754736,"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."}}