{"id":"W1986213167","doi":"10.1016/j.tet.2007.10.009","title":"Reverse-docking study of the organocatalyzed asymmetric Strecker hydrocyanation of aldimines and ketimines","year":2007,"lang":"en","type":"article","venue":"Tetrahedron","topic":"Molecular spectroscopy and chirality","field":"Chemistry","cited_by":11,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of New Brunswick","funders":"New Brunswick Innovation Foundation","keywords":"Hydrocyanation; Chemistry; Strecker amino acid synthesis; Enantiomer; Aldimine; Organocatalysis; Docking (animal); Catalysis; Transition state; Enantioselective synthesis; Computational chemistry; Organic chemistry; Combinatorial chemistry; Stereochemistry","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":[0.000111942,0.0003627512,0.0003405978,0.0001571636,0.0001847846,0.0003157516,0.0003366693,0.0001562055,0.001455594],"category_scores_gemma":[0.0001875394,0.0001086023,0.0002188063,0.0001903494,0.0001530799,0.0001748423,0.0001273,0.0003582873,0.0001910092],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002831776,"about_ca_system_score_gemma":0.0002370772,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003532644,"about_ca_topic_score_gemma":0.002671176,"domain_scores_codex":[0.9999381,0.000008404192,0.000001782862,0.00001166831,0.00001980012,0.00002021554],"domain_scores_gemma":[0.9999462,0.00001086286,0.00001176347,0.000004420644,0.00001313253,0.00001362231],"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":[0.001756115,0.0007903032,0.002167488,0.0001906014,0.0001379203,0.0006918954,0.0001149991,0.1003688,0.8727353,0.003236233,0.0008395538,0.01697063],"study_design_scores_gemma":[0.0001931646,0.002807839,0.003921338,0.00001323898,0.00007572019,0.0002426591,0.000153562,0.2572039,0.7329317,0.0002985203,0.002099271,0.0000591042],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9980578,0.0001020468,0.0007407646,0.00001886189,0.000009715252,0.000007352329,0.00004420667,0.00002279713,0.0009963586],"genre_scores_gemma":[0.9978759,0.0001365912,0.0008848373,0.000006753236,0.000001086448,0.000003497474,0.000101246,0.000005832268,0.0009844009],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003532644,"threshold_uncertainty_score":0.007024169,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00877716955760711,"score_gpt":0.2497069252386609,"score_spread":0.2409297556810538,"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."}}