{"id":"W6962542466","doi":"10.17605/osf.io/2tke6","title":"Fe-tpy small molecule reactivity","year":2020,"lang":"en","type":"article","venue":"OSF Preprints (OSF Preprints)","topic":"Metal-Catalyzed Oxygenation Mechanisms","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Small molecule; Reactivity (psychology); Molecule; Yield (engineering)","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006155208,0.001043755,0.0008816121,0.0006056435,0.0006413504,0.0005997582,0.001221883,0.0006118241,0.06323857],"category_scores_gemma":[0.001369842,0.0004237771,0.0007209998,0.001134049,0.0002671701,0.0005195187,0.000366988,0.001731994,0.01057231],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007386432,"about_ca_system_score_gemma":0.0004825196,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002422707,"about_ca_topic_score_gemma":0.002247809,"domain_scores_codex":[0.9992074,0.00005216943,0.00003798832,0.000271227,0.0003335077,0.00009771708],"domain_scores_gemma":[0.9993457,0.0002897455,0.00006737199,0.0001412149,0.0001236476,0.00003222389],"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":[0.003160246,0.0003370567,0.005935529,0.003038304,0.0004193011,0.0005292769,0.0004312345,0.007004469,0.8274731,0.005160215,0.09364907,0.05286227],"study_design_scores_gemma":[0.0001046114,0.000216517,0.008549636,0.00004885551,0.00009978346,0.0002370188,0.00006720793,0.01668617,0.9116383,0.001511435,0.06075158,0.00008886249],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"dataset","genre_gemma":"empirical","genre_scores_codex":[0.3077848,0.0008117338,0.1010851,0.0007113889,0.0003009563,0.0007050482,0.5185843,0.03396536,0.03605139],"genre_scores_gemma":[0.6377317,0.001657362,0.06859782,0.0004521979,0.00009307601,0.003617426,0.2489464,0.006228406,0.03267576],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.06323857,"threshold_uncertainty_score":0.2115541,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02712872523675006,"score_gpt":0.2469952455556276,"score_spread":0.2198665203188775,"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."}}