{"id":"W2756820164","doi":"10.1039/c7ra08312b","title":"Nitroimidazolic radiosensitizers investigated by electrospray ionization time-of-flight mass spectrometry and density functional theory","year":2017,"lang":"en","type":"article","venue":"RSC Advances","topic":"Energetic Materials and Combustion","field":"Engineering","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"IONICS Mass Spectrometry (Canada)","funders":"Universität Innsbruck; Institut National de Physique Nucléaire et de Physique des Particules; Indo-French Centre for the Promotion of Advanced Research; Council of Scientific and Industrial Research, India","keywords":"Mass spectrometry; Ion; Chemistry; Electrospray ionization; Density functional theory; Ionization; Computational chemistry; Chromatography; 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001256794,0.0001113451,0.0001573071,0.00004375619,0.0001547305,0.00004757323,0.00006878275,0.00005382463,0.00006761695],"category_scores_gemma":[0.0000681805,0.0001064317,0.00001947199,0.000052161,0.00009805396,0.0002127397,0.00001418193,0.00005906196,0.000007654327],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000247469,"about_ca_system_score_gemma":0.000008153323,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000003405147,"about_ca_topic_score_gemma":0.00000143844,"domain_scores_codex":[0.9994601,0.00002872105,0.0001348555,0.0001304833,0.0001066961,0.0001391189],"domain_scores_gemma":[0.9996306,0.00003457079,0.00007793894,0.0001689145,0.0000384464,0.00004947184],"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":[0.00002499091,0.000006549821,0.001602144,0.00004371974,0.00002660312,0.000001305569,0.00001958137,0.001973408,0.9920419,0.002812798,0.0004391216,0.001007878],"study_design_scores_gemma":[0.0002890024,0.00003280619,0.01168334,0.00002790966,0.00002303376,0.000009996575,0.00001181363,0.003662811,0.9694148,0.01412346,0.0005410497,0.0001800096],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9696472,0.001352084,0.02735223,0.0000584252,0.0002894191,0.00006058704,0.000008807649,0.0001045967,0.001126619],"genre_scores_gemma":[0.9966147,0.0006412711,0.002398132,0.00002033959,0.00009239536,0.000003141068,0.0000365687,0.0000167845,0.0001766475],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02696749,"threshold_uncertainty_score":0.4340157,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004424801588931107,"score_gpt":0.187169077886969,"score_spread":0.1827442762980379,"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."}}