{"id":"W3194452403","doi":"10.1002/cmtd.202100053","title":"Rapid and Mild One‐Flow Synthetic Approach to Unsymmetrical Sulfamides Guided by Bayesian Optimization","year":2021,"lang":"en","type":"article","venue":"Chemistry - Methods","topic":"Innovative Microfluidic and Catalytic Techniques Innovation","field":"Engineering","cited_by":41,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Sulfuryl chloride; Bayesian optimization; Yield (engineering); Chemistry; Combinatorial chemistry; Reaction conditions; Biochemical engineering; Materials science; Organic chemistry; Mathematics; Mathematical optimization; Catalysis; Engineering","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":[0.0006066965,0.0002028254,0.0002617654,0.00006907444,0.0000602455,0.00005059279,0.0001339378,0.0001972418,0.00008618207],"category_scores_gemma":[0.0003977073,0.0002313205,0.00003723415,0.001205295,0.00005991173,0.00006581417,0.00007181619,0.0002108515,0.000001371264],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001207104,"about_ca_system_score_gemma":0.0000275864,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000001339521,"about_ca_topic_score_gemma":2.412204e-9,"domain_scores_codex":[0.9988684,0.00005309541,0.0003542567,0.0003514629,0.0001348388,0.0002379172],"domain_scores_gemma":[0.9993008,0.00007818374,0.00003797244,0.0003307396,0.0001694822,0.00008285583],"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":[0.000003535363,0.00004464416,0.000005980444,0.0002101856,0.00003887583,0.000001305262,0.00005239275,0.0009612117,0.9182389,0.0001795851,0.01461111,0.06565224],"study_design_scores_gemma":[0.0001501385,0.000005813367,0.000006443998,0.00003013098,0.00002024784,0.00002824434,0.00005994354,0.06707723,0.9205231,0.00008577457,0.0117714,0.0002415388],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.00210894,0.001649327,0.9706796,0.0001070896,0.00006147906,0.0001224305,0.00002147143,0.0002813347,0.02496836],"genre_scores_gemma":[0.03894215,0.0001310246,0.9596716,0.0001547041,0.00007168944,0.00005183626,0.0002919241,0.00005188653,0.0006332278],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.06611602,"threshold_uncertainty_score":0.9432976,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03063586296967019,"score_gpt":0.2925689396912872,"score_spread":0.261933076721617,"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."}}