{"id":"W4405456345","doi":"10.26434/chemrxiv-2024-qb5wr","title":"Rapid, Scalable Buchwald-Hartwig Amination by Resonant Acoustic Mixing (RAM): Establishing Parameters for RAM Reaction Design","year":2024,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Spectroscopy Techniques in Biomedical and Chemical Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Natural Sciences and Engineering Research Council of Canada; Genentech; University of Birmingham; Leverhulme Trust","keywords":"Raman spectroscopy; Materials science; Scalability; Reaction rate; Reaction wheel; Computer science; Chemistry; Physics; Thermodynamics; Optics; Organic chemistry; Catalysis","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.001076582,0.0004162651,0.0003670602,0.0001264366,0.0001246551,0.0002580294,0.0006083193,0.001134665,0.0000272814],"category_scores_gemma":[0.001500199,0.000389782,0.0002735935,0.0002063152,0.000234125,0.000008363913,0.000870945,0.00097791,0.00001162951],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002754913,"about_ca_system_score_gemma":0.0002361492,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003711601,"about_ca_topic_score_gemma":0.000001800227,"domain_scores_codex":[0.9971337,0.00008114855,0.0004577119,0.001188312,0.0004663074,0.0006728708],"domain_scores_gemma":[0.998529,0.0002070538,0.0001668713,0.0006572924,0.0002043957,0.0002353594],"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":[0.0001464997,0.00008932966,0.000003038611,0.0005277515,0.00008075575,0.000004038965,0.0000161426,0.00001427941,0.8395587,0.00001433629,0.1450969,0.01444818],"study_design_scores_gemma":[0.000271718,0.0002436182,0.000003071173,0.0003338799,0.00008740654,0.000006546394,0.0000263144,0.004620693,0.9268401,0.005182059,0.06196629,0.0004182736],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.4572797,0.01854215,0.5106031,0.002983986,0.002404802,0.004332637,0.0002283237,0.000689117,0.002936174],"genre_scores_gemma":[0.899633,0.006811678,0.07545897,0.0006077464,0.001668573,0.002888476,0.004897277,0.0003256632,0.007708566],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.4423534,"threshold_uncertainty_score":0.9998554,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02826609585776058,"score_gpt":0.3183967881206604,"score_spread":0.2901306922628998,"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."}}