{"id":"W4311716211","doi":"10.26434/chemrxiv-2022-dpsx9","title":"Mechanochemical Desymmetrization of Unbiased Bis- and Tris-alkynes to Access 3,5-Isoxazoles-Alkyne Adducts and Unsymmetrical Bis-3,5-isoxazoles","year":2022,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Asymmetric Synthesis and Catalysis","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University; Concordia University","funders":"Fonds de recherche du Québec – Nature et technologies; Natural Sciences and Engineering Research Council of Canada; Centre in Green Chemistry and Catalysis","keywords":"Alkyne; Isoxazole; Adduct; Tris; Chemistry; Nitrile; Cycloaddition; Yield (engineering); Desymmetrization; Combinatorial chemistry; Medicinal chemistry; Organic chemistry; Catalysis; Materials science","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":[0.0002078956,0.0004447455,0.0001551138,0.0001474174,0.00009462462,0.0002165154,0.0002805818,0.0002016811,0.001386226],"category_scores_gemma":[0.0001873764,0.0001826342,0.0002120656,0.0001174591,0.0002090475,0.0002638026,0.0002914754,0.0004967206,0.000569594],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002565758,"about_ca_system_score_gemma":0.0002571371,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003453663,"about_ca_topic_score_gemma":0.001217216,"domain_scores_codex":[0.9998579,0.00001345463,0.00001331549,0.00003409295,0.00003854387,0.00004271632],"domain_scores_gemma":[0.9999087,0.00001257725,0.00003412962,0.00001893085,0.00001463696,0.00001098666],"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":[0.00003230833,0.00001633538,0.00007056511,0.00006571511,0.000007321307,0.00009845391,0.00003342922,0.0002172019,0.9945083,0.001063964,0.0001213706,0.0037649],"study_design_scores_gemma":[0.000008025636,0.00006534508,0.0002510572,0.000002882261,0.000003374908,0.00009438326,0.000009073143,0.0003120452,0.9969031,0.00007235745,0.002273534,0.000004713621],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9489591,0.001745316,0.03778702,0.0002519812,0.0001642343,0.0001466307,0.0004193733,0.0003131208,0.01021309],"genre_scores_gemma":[0.9812487,0.001320387,0.012529,0.00007217671,0.00001835004,0.00007629213,0.0002625674,0.00005897351,0.004413581],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001386226,"threshold_uncertainty_score":0.004637361,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0323646490283559,"score_gpt":0.2857018296308239,"score_spread":0.253337180602468,"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."}}