{"id":"W4403488147","doi":"10.3390/molecules29204915","title":"A Computational Study of Heteroatom Analogues of Selenoxide and Selenone syn Eliminations","year":2024,"lang":"en","type":"article","venue":"Molecules","topic":"Organoselenium and organotellurium chemistry","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Heteroatom; Chemistry; Organic chemistry; Stereochemistry; Ring (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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005911108,0.00114409,0.001502449,0.000899638,0.000949138,0.001074421,0.001312333,0.00160211,0.006411878],"category_scores_gemma":[0.001743414,0.0004937605,0.00136514,0.001011372,0.0006782228,0.0007836975,0.0006572927,0.00119343,0.0005168336],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009329346,"about_ca_system_score_gemma":0.00164146,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01375567,"about_ca_topic_score_gemma":0.01662806,"domain_scores_codex":[0.9998418,0.00004204898,0.000006812006,0.00002861795,0.00002814481,0.00005259287],"domain_scores_gemma":[0.9991388,0.0006119001,0.00004088469,0.0000472597,0.0001063695,0.00005481661],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00046219,0.0002597779,0.004548507,0.000535097,0.0002205472,0.0005358567,0.00006819599,0.9741145,0.001521984,0.008343922,0.003968652,0.005420799],"study_design_scores_gemma":[0.0001913492,0.0002416498,0.001467163,0.00004825545,0.0001036012,0.00007275781,0.00014528,0.9911675,0.0006851089,0.003149258,0.002711045,0.00001697736],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9536654,0.002055595,0.006977234,0.0009255674,0.0001590519,0.0001191635,0.004378833,0.0003744532,0.03134464],"genre_scores_gemma":[0.9778745,0.0008732946,0.01064206,0.0003817074,0.00004462848,0.0002516074,0.005825477,0.0001522973,0.0039545],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01375567,"threshold_uncertainty_score":0.0273512,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05104653413812073,"score_gpt":0.3953711044413969,"score_spread":0.3443245703032762,"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."}}