{"id":"W4407850264","doi":"10.1002/ange.202501425","title":"Sequence Similarity Network Guided Discovery of a Dehydrogenase for Asymmetric Carbonyl Dehydrogenation","year":2025,"lang":"en","type":"article","venue":"Angewandte Chemie","topic":"Enzyme Catalysis and Immobilization","field":"Biochemistry, Genetics and Molecular Biology","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Institute of Aging","funders":"National Key Research and Development Program of China; National Natural Science Foundation of China; Key Technologies Research and Development Program; Major Basic Research Project of the Natural Science Foundation of the Jiangsu Higher Education Institutions; Government of Jiangsu Province; Natural Science Foundation of Jiangsu Province","keywords":"Dehydrogenation; Sequence (biology); Similarity (geometry); Chemistry; Combinatorial chemistry; Computational biology; Information retrieval; Computer science; Stereochemistry; Organic chemistry; Biology; Biochemistry; Artificial intelligence; Catalysis","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":[],"consensus_categories":[],"category_scores_codex":[0.0002428144,0.0001334352,0.00018518,0.00006549515,0.00006428103,0.00001981683,0.0001585462,0.0001485871,0.000002065343],"category_scores_gemma":[0.0003203109,0.0001308147,0.0001607289,0.0004588842,0.00005474472,0.00001127176,0.00007368305,0.00004011719,3.855956e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003160848,"about_ca_system_score_gemma":0.0001154866,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002064674,"about_ca_topic_score_gemma":0.00003369947,"domain_scores_codex":[0.9990946,0.00001964109,0.0002828289,0.0003121822,0.00009400911,0.0001967569],"domain_scores_gemma":[0.9992752,0.00003180065,0.0001281461,0.0003434818,0.0001889764,0.00003236018],"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":[0.000044738,0.00004992374,0.00179527,0.00008097585,0.00009602455,3.48179e-7,0.000008800173,0.0008484446,0.9890621,0.0003571134,0.007477676,0.0001785991],"study_design_scores_gemma":[0.0004621631,0.00005736083,0.0001547071,0.00002811332,0.00008174287,0.000001383491,0.00001116503,0.000359302,0.9894468,0.0003892029,0.008880803,0.0001272224],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9793192,0.003490031,0.0140985,0.0001053399,0.0001421087,0.0003854024,0.00008451247,0.00001419666,0.002360702],"genre_scores_gemma":[0.9966052,0.0002673321,0.0006934865,0.0003068266,0.0001339994,0.00007048131,0.001058118,0.00001390663,0.0008506737],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01728597,"threshold_uncertainty_score":0.5334469,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02073595188638878,"score_gpt":0.2857566821902867,"score_spread":0.2650207303038979,"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."}}