{"id":"W2007890989","doi":"10.3390/molecules190811999","title":"Dissociative Electron Transfer to Diphenyl-Substituted Bicyclic Endoperoxides: The Effect of Molecular Structure on the Reactivity of Distonic Radical Anions and Determination of Thermochemical Parameters","year":2014,"lang":"en","type":"article","venue":"Molecules","topic":"Radical Photochemical Reactions","field":"Chemistry","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"Natural Sciences and Engineering Research Council of Canada; Università ta' Malta; Government of Ontario","keywords":"Reactivity (psychology); Chemistry; Bicyclic molecule; Electron transfer; Computational chemistry; Photochemistry; Medicinal 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":[0.000181295,0.0002022111,0.0003542325,0.00003495461,0.00006533519,0.000009047283,0.0002839838,0.0001497952,0.00002304652],"category_scores_gemma":[0.001737883,0.000115882,0.0001665946,0.0001953969,0.000555486,0.00002999337,0.00003496117,0.0003594543,3.831913e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007002352,"about_ca_system_score_gemma":0.00002046493,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006184297,"about_ca_topic_score_gemma":0.000008268001,"domain_scores_codex":[0.9986745,0.0002064721,0.0002957325,0.0002644605,0.0003510865,0.0002077757],"domain_scores_gemma":[0.9972386,0.002145303,0.00009296093,0.0004000213,0.0000386248,0.00008443056],"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":[0.0001689975,0.00006305877,0.0001432912,0.00005264733,0.00006442375,5.882089e-7,0.0001949174,0.00001669539,0.9957185,0.0009576069,0.000005805671,0.002613512],"study_design_scores_gemma":[0.0003526322,0.0001775347,0.001175202,0.00008294966,0.0001168567,0.000002829955,0.00002251919,0.0003789986,0.9967438,0.0008162853,0.00002355294,0.0001068623],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9969108,0.00004097347,0.001785434,0.0003698668,0.00001108332,0.0003115067,0.00005421614,0.00001564584,0.0005004966],"genre_scores_gemma":[0.9997152,0.000005804245,0.0001289918,0.00004121613,0.00001025093,0.00005844592,0.00001687633,0.00002072348,0.000002502514],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002804411,"threshold_uncertainty_score":0.472553,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004325415075475325,"score_gpt":0.2289294073487279,"score_spread":0.2246039922732525,"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."}}