{"id":"W4405538309","doi":"10.1139/cjc-2024-0142","title":"Conflicting findings in pyrrolo[1,2-<i>d</i>]tetrazoles: a computational study","year":2024,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Synthesis of Tetrazole Derivatives","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Computational chemistry; Stereochemistry","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0003716517,0.0001987227,0.0002974246,0.0002123661,0.00007320049,0.0002012825,0.0004356557,0.0001250272,0.001900349],"category_scores_gemma":[0.0004553033,0.0002099015,0.000131806,0.0002679594,0.0001156909,0.0002104828,0.00001687456,0.00068068,0.00001443313],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003956476,"about_ca_system_score_gemma":0.001435477,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004049282,"about_ca_topic_score_gemma":0.0005403058,"domain_scores_codex":[0.9984854,0.00001364009,0.0006137802,0.0002280209,0.0002979455,0.0003612307],"domain_scores_gemma":[0.9988433,0.0003308401,0.0001204297,0.0001519866,0.000113581,0.0004398504],"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":[0.0001335847,0.000538134,0.4322119,0.002401432,0.001453037,0.02060932,0.05283355,0.009446787,0.4564434,0.0001449882,0.008863623,0.01492021],"study_design_scores_gemma":[0.005802383,0.0001688485,0.05501972,0.006926339,0.0002888147,0.005229097,0.08281938,0.006794842,0.7780145,0.002480158,0.05385908,0.002596788],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9900525,0.001092383,0.00001708608,0.0004184071,0.0001215724,0.00003531807,0.0000266537,0.00002500899,0.008211111],"genre_scores_gemma":[0.9992729,0.000004314281,0.0001363471,0.000054893,0.0002490389,0.000003807545,0.000005453495,0.00003497722,0.0002382602],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3771922,"threshold_uncertainty_score":0.9990121,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01378287348766338,"score_gpt":0.2689491392037219,"score_spread":0.2551662657160585,"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."}}