{"id":"W4231000409","doi":"10.26434/chemrxiv.7834940.v1","title":"Synthesis of Nitrile-Bearing Quaternary Centers via an Equilibrium-Driven Transnitrilation and Anion-Relay Strategy","year":2019,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Coordination Chemistry and Organometallics","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Nitrile; Electrophile; Reagent; Lithium (medication); Alkyl; Combinatorial chemistry; Chemistry; Bearing (navigation); Relay; SAFER; Organic chemistry; Computer science; Catalysis; Physics; Biology; Computer security","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":[0.0003633458,0.0004865022,0.0002711637,0.0001871916,0.0001711826,0.0002413135,0.0005069494,0.0003596488,0.001295476],"category_scores_gemma":[0.0001796833,0.0001520411,0.0001904582,0.000119013,0.0001918004,0.000361426,0.0004404475,0.000562374,0.0005850942],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003188359,"about_ca_system_score_gemma":0.0002798527,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000380595,"about_ca_topic_score_gemma":0.0009152831,"domain_scores_codex":[0.9998568,0.00002401066,0.00001411589,0.0000440624,0.00003299939,0.00002802297],"domain_scores_gemma":[0.9999232,0.000009145298,0.0000281974,0.00001156028,0.00001444769,0.0000133498],"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":[0.00009713216,0.00003748027,0.00006767183,0.0001562464,0.00001207227,0.0002033634,0.00008081998,0.000492681,0.9912165,0.002173539,0.0002344662,0.005228058],"study_design_scores_gemma":[0.00002029065,0.0002554968,0.0002049694,0.000006137705,0.00001053427,0.0003201049,0.0000109601,0.00112658,0.9928133,0.0001375055,0.005081526,0.000012621],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8952817,0.002211168,0.08051705,0.0003166282,0.0001429807,0.0003156234,0.0007608754,0.0005727048,0.01988124],"genre_scores_gemma":[0.9602079,0.001307052,0.03069412,0.00007920169,0.00002265117,0.0001061244,0.0004381293,0.00007388727,0.007070877],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001295476,"threshold_uncertainty_score":0.004333794,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02379445057643741,"score_gpt":0.2515098329367296,"score_spread":0.2277153823602922,"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."}}