{"id":"W2564979868","doi":"10.1021/acs.biochem.6b01211","title":"Linear Free Energy Relationship Analysis of Transition State Mimicry by 3-Deoxy-d-arabino-heptulosonate-7-phosphate (DAHP) Oxime, a DAHP Synthase Inhibitor and Phosphate Mimic","year":2017,"lang":"en","type":"article","venue":"Biochemistry","topic":"Carbohydrate Chemistry and Synthesis","field":"Chemistry","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"Canadian Institutes of Health Research","keywords":"Taft equation; ATP synthase; Chemistry; Stereochemistry; Oxime; Transition state analog; Active site; Enzyme; Biochemistry; Substituent","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":[0.0003025552,0.0003576211,0.0001951174,0.0005150887,0.0001224137,0.0002148759,0.0005526217,0.0003798462,0.003099056],"category_scores_gemma":[0.001062909,0.0001866859,0.0004915201,0.0004686228,0.0001747004,0.0003292757,0.0002135751,0.0005885695,0.0006044224],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005859287,"about_ca_system_score_gemma":0.0001691423,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00173023,"about_ca_topic_score_gemma":0.001065431,"domain_scores_codex":[0.9998448,0.00003659699,0.00000860914,0.00004242585,0.00004126609,0.0000262971],"domain_scores_gemma":[0.9995844,0.0002506451,0.00007616324,0.00002536915,0.00005096902,0.00001241357],"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":[0.001012761,0.0004680835,0.007871117,0.0003069044,0.0001996004,0.0003303376,0.0002798162,0.1599727,0.7892767,0.004908604,0.001125088,0.03424829],"study_design_scores_gemma":[0.00001768927,0.0003608874,0.009340404,0.00001102123,0.00003637247,0.0001127528,0.00006839599,0.7196786,0.2679385,0.001121919,0.001265693,0.00004769694],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9584437,0.0005521498,0.03670631,0.0001542912,0.00001197105,0.00003235785,0.0005532973,0.0006592914,0.002886594],"genre_scores_gemma":[0.9915012,0.0002220676,0.006070857,0.00003121322,0.000001929423,0.00004997815,0.0004572216,0.00007037946,0.00159518],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003099056,"threshold_uncertainty_score":0.01036739,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01075252948479275,"score_gpt":0.2196494678579214,"score_spread":0.2088969383731286,"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."}}