{"id":"W4407102892","doi":"10.26434/chemrxiv-2025-6tnwz","title":"Development of CPA-Catalyzed b-Selective Reductive Amination of Cardenolides for the Synthesis of Hydrolytically Stable Analogs","year":2025,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Steroid Chemistry and Biochemistry","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"National Institute of General Medical Sciences","keywords":"Reductive amination; Chemistry; Digitoxigenin; Moiety; Combinatorial chemistry; Aniline; Catalysis; Amination; Hydrolysis; Stereochemistry; Phosphoric acid; Organic chemistry; Glycoside","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":[0.0003059868,0.0002498323,0.0004630105,0.0000400274,0.00005081227,0.000006174475,0.0005022428,0.0004303624,0.000006099265],"category_scores_gemma":[0.0006227408,0.0002114888,0.0002634265,0.0001079187,0.0002224236,0.000001841262,0.0003966618,0.0001430602,1.099793e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000470481,"about_ca_system_score_gemma":0.0006421829,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000009433527,"about_ca_topic_score_gemma":0.000003486675,"domain_scores_codex":[0.9985974,0.00002104679,0.000565334,0.0004594168,0.0001724615,0.0001843133],"domain_scores_gemma":[0.9980601,0.0001474034,0.0005571055,0.0005856841,0.0006156147,0.00003409458],"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":[0.0002797932,0.0001322188,0.00008175874,0.001552438,0.0008436638,1.187023e-7,0.0002231464,0.00008161181,0.9952433,0.00001002538,0.0001935226,0.001358436],"study_design_scores_gemma":[0.0002435256,0.00002328882,0.0002301947,0.0002636482,0.0002612289,0.000001037364,0.0004188231,0.00006198727,0.9979968,0.0001022964,0.0002134369,0.0001837462],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9941057,0.001009963,0.002334465,0.00004804752,0.00008504491,0.0004251362,0.000164746,0.000005791781,0.001821104],"genre_scores_gemma":[0.9942175,0.0001063514,0.004568451,0.000005312522,0.00008195217,0.0001900582,0.0002827662,0.00001414194,0.0005334449],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00275352,"threshold_uncertainty_score":0.8624264,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01291145211691872,"score_gpt":0.2570234666098402,"score_spread":0.2441120144929214,"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."}}