{"id":"W2151409846","doi":"10.1002/chem.201405829","title":"From Minutes to Years: Predicting Organotrifluoroborate Solvolysis Rates","year":2015,"lang":"en","type":"article","venue":"Chemistry - A European Journal","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":61,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Solvolysis; Logarithm; Chemistry; Medicinal chemistry; Mathematics; Organic chemistry; Hydrolysis; Mathematical analysis","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":[0.0009246036,0.0007013933,0.0003639898,0.00147759,0.0001232096,0.0008252288,0.0003367614,0.0009155035,0.0009521273],"category_scores_gemma":[0.004322915,0.0002353823,0.0004049435,0.0007395,0.0001354885,0.0008281404,0.0002894955,0.0005390008,0.0005715643],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003106487,"about_ca_system_score_gemma":0.0002710835,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004313666,"about_ca_topic_score_gemma":0.003311625,"domain_scores_codex":[0.9998492,0.00003333226,0.00001312748,0.00005683868,0.00002737103,0.00002005969],"domain_scores_gemma":[0.9982488,0.001173383,0.000277423,0.0000676639,0.0001053603,0.0001275048],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0009655643,0.0001722527,0.433984,0.0001507547,0.0002493722,0.0003788243,0.0001852503,0.4801197,0.01275878,0.001047598,0.002694848,0.06729306],"study_design_scores_gemma":[0.00002043151,0.0002175309,0.07666662,0.00002227746,0.00005916626,0.0002337549,0.0001004838,0.9087138,0.009529116,0.001543358,0.002838029,0.00005543413],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9745403,0.00124506,0.01863957,0.0001709212,0.00003399059,0.00002319761,0.003487406,0.0004650353,0.001394386],"genre_scores_gemma":[0.9928416,0.0004313387,0.004370816,0.00002081281,0.00001848757,0.00001987155,0.00190319,0.00003269373,0.0003612223],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004313666,"threshold_uncertainty_score":0.008577168,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02921458602004,"score_gpt":0.2634050074245337,"score_spread":0.2341904214044936,"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."}}