{"id":"W4415342651","doi":"10.52843/cassyni.jnxk2s.1","title":"Unveiling Routes to Fluorinated Molecules","year":2025,"lang":"","type":"preprint","venue":"","topic":"Fluorine in Organic Chemistry","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval","funders":"","keywords":"Field (mathematics); Homogeneous; Molecule; Drug discovery; Catalysis","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":[0.0008848023,0.0006355467,0.0003270597,0.0007275947,0.0005867355,0.001001404,0.0008320458,0.001131121,0.005526554],"category_scores_gemma":[0.0008445543,0.0003472981,0.000547448,0.0003911715,0.001036437,0.002724885,0.001505016,0.002812681,0.002046078],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008175424,"about_ca_system_score_gemma":0.0005552004,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004990805,"about_ca_topic_score_gemma":0.0006674134,"domain_scores_codex":[0.9995634,0.000103375,0.00002720443,0.00007992091,0.0001174033,0.0001088033],"domain_scores_gemma":[0.9997092,0.0001166732,0.00004127459,0.00004240646,0.00005771741,0.00003282385],"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":[0.0002993165,0.0003196376,0.0002960388,0.0028213,0.00008101166,0.001816623,0.001790702,0.004326021,0.4766597,0.3611902,0.01124095,0.1391584],"study_design_scores_gemma":[0.0001410213,0.001375366,0.0002825787,0.0003860369,0.0000519472,0.001287581,0.0002772723,0.002416692,0.50103,0.06681231,0.4258316,0.0001077185],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2172316,0.1106204,0.501618,0.0120357,0.003486309,0.0007781519,0.00119581,0.001220769,0.1518133],"genre_scores_gemma":[0.7098491,0.1251955,0.124491,0.002909643,0.0007021757,0.0004840027,0.0007336491,0.0004925987,0.03514225],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.005526554,"threshold_uncertainty_score":0.01848811,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.07954091509307093,"score_gpt":0.4377184273943669,"score_spread":0.358177512301296,"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."}}