{"id":"W2953389821","doi":"10.1002/chin.201129224","title":"ChemInform Abstract: Reactivity by Design — Metallaoxetanes as Centerpieces in Reaction Development","year":2011,"lang":"en","type":"article","venue":"ChemInform","topic":"Chemistry and Chemical Engineering","field":"Environmental Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Chemistry; Reactivity (psychology); Combinatorial chemistry; Computational chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0001907346,0.0002140212,0.0001678177,0.00001834915,0.00004365252,0.00001550603,0.0002350738,0.0001396721,0.003808524],"category_scores_gemma":[0.00005545134,0.0002081922,0.00004675213,0.0001519793,0.00006778358,0.0005257455,0.0001106495,0.0002088081,0.0003290895],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003848417,"about_ca_system_score_gemma":0.00001805523,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001515613,"about_ca_topic_score_gemma":0.00000840248,"domain_scores_codex":[0.9988469,5.890324e-8,0.0003177843,0.0002453666,0.000244761,0.0003451011],"domain_scores_gemma":[0.999514,0.00003318028,0.0001007338,0.0001996953,0.000005433219,0.0001469784],"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":[0.00006640257,0.0001619869,0.0002183042,0.00004453685,0.00001541329,0.00001060935,0.001453229,0.000001678242,0.7147214,0.000003350932,0.004149254,0.2791538],"study_design_scores_gemma":[0.0002054207,0.000008046351,0.002001564,0.00002195294,0.000005315168,0.00001862718,0.0001278573,0.00001252501,0.9543698,0.0000425228,0.04293384,0.000252467],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.2739821,0.00001766418,0.00000291224,0.000009390775,0.00003211612,0.00009413322,0.000001194907,0.00006157966,0.7257988],"genre_scores_gemma":[0.9911013,0.00002289686,0.0003240643,0.00004345377,0.00001482712,0.00004206936,0.00002976337,0.00001423111,0.008407387],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.7173915,"threshold_uncertainty_score":0.9971021,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01695003860624577,"score_gpt":0.1989803919403476,"score_spread":0.1820303533341018,"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."}}