{"id":"W4404939976","doi":"10.1038/s41929-024-01258-6","title":"Computational methods for asymmetric catalysis","year":2024,"lang":"en","type":"article","venue":"Nature Catalysis","topic":"Surface Chemistry and Catalysis","field":"Engineering","cited_by":11,"is_retracted":false,"has_abstract":false,"ca_institutions":"Group for Research in Decision Analysis; McGill University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Computer science; Chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0004514926,0.0002631436,0.0003524689,0.0004606354,0.00009072484,0.0001430782,0.0002865657,0.0003935193,0.0001091986],"category_scores_gemma":[0.0002159835,0.0002542381,0.0005217309,0.002776188,0.00003657332,0.0002016572,0.00003390722,0.000498911,0.00008299572],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001535921,"about_ca_system_score_gemma":0.0000369472,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004267306,"about_ca_topic_score_gemma":0.000001979412,"domain_scores_codex":[0.9987272,0.0000206854,0.0002918418,0.0004404281,0.000221275,0.0002985592],"domain_scores_gemma":[0.9986221,0.0007502059,0.00002335765,0.0003714214,0.0001170454,0.0001159023],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00002249899,0.00009035512,0.0001099773,0.00164594,0.005773565,0.00003063171,0.0005826235,0.2247871,0.03468244,0.001081784,0.04367201,0.6875211],"study_design_scores_gemma":[0.0002868078,0.00001482329,0.00009159889,0.00004405399,0.001738655,0.00002997116,0.0001254251,0.418195,0.406163,0.002547964,0.1700096,0.000753104],"study_design_candidate":"design_other","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.02584914,0.09410694,0.8648275,0.0005369586,0.001884659,0.0003707589,0.0003617418,0.002297519,0.009764837],"genre_scores_gemma":[0.9372925,0.00009500358,0.05845613,0.00007063425,0.0002733396,0.0001157061,0.002784573,0.00007641515,0.0008357529],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.9114433,"threshold_uncertainty_score":0.999991,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006340098806503242,"score_gpt":0.31106048420211,"score_spread":0.3047203853956068,"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."}}