{"id":"W2897584452","doi":"10.1021/acs.inorgchem.8b02416","title":"Non-Innocent Base Properties of 3- and 4-Pyridyl-dithia- and Diselenadiazolyl Radicals: The Effect of<i>N</i>-Methylation","year":2018,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Organic and Molecular Conductors Research","field":"Materials Science","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"H2020 Marie Skłodowska-Curie Actions; Horizon 2020 Framework Programme; Université de Bordeaux; Jyväskylän Yliopisto; Centre National de la Recherche Scientifique; European Cooperation in Science and Technology; Natural Sciences and Engineering Research Council of Canada; European Commission; Academy of Finland; Diamond Light Source","keywords":"Chemistry; Radical; Base (topology); Methylation; Medicinal chemistry; Organic chemistry; Photochemistry; Biochemistry","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":[0.0005137748,0.0001153134,0.0001939356,0.00001500546,0.00009253978,0.00002880948,0.000181693,0.00007892489,0.0002517776],"category_scores_gemma":[0.0003256331,0.00007042971,0.0000242749,0.0001154578,0.0007366978,0.00005903396,0.0001650054,0.000101359,0.000007026037],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001912385,"about_ca_system_score_gemma":0.00008852818,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005858501,"about_ca_topic_score_gemma":0.000002308684,"domain_scores_codex":[0.9990919,0.00005305509,0.0002165798,0.0002256737,0.0002386949,0.0001741156],"domain_scores_gemma":[0.9993852,0.00007464701,0.00009266532,0.0002848891,0.00007743528,0.00008520276],"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":[0.00004323548,0.00001151815,0.001388857,0.0003089836,0.00001026198,0.00000103359,0.0003190761,6.448786e-8,0.9971494,0.000002419327,0.0001109355,0.0006541936],"study_design_scores_gemma":[0.0003777244,0.0001112362,0.0008746533,0.00006188062,0.00002486938,0.00001501401,0.0000793329,0.00007896733,0.9981701,0.00001154693,0.000115215,0.00007947932],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9983885,0.001026684,0.00002489717,0.0001765685,0.00004915092,0.0001731129,0.000009825501,0.0000125712,0.0001386462],"genre_scores_gemma":[0.9996917,0.00005462033,0.00002648635,0.00001631474,0.0001078103,0.000006201594,0.000001796885,0.00001330832,0.00008178671],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001303131,"threshold_uncertainty_score":0.287204,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00948504190728872,"score_gpt":0.2346961078285057,"score_spread":0.225211065921217,"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."}}