{"id":"W2030180880","doi":"10.1096/fj.02-0026fje","title":"A concerted, rational design of type 1 17β‐hydroxysteroid dehydrogenase inhibitors: estradiol‐adenosine hybrids with high affinity","year":2002,"lang":"en","type":"article","venue":"The FASEB Journal","topic":"Estrogen and related hormone effects","field":"Biochemistry, Genetics and Molecular Biology","cited_by":85,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval","funders":"Medical Research Council; Canadian Institutes of Health Research; Natural Sciences and Engineering Research Council of Canada; Medical Research Council Canada; U.S. Department of Energy","keywords":"Enzyme; Cofactor; Stereochemistry; Chemistry; Dehydrogenase; Substrate (aquarium); Linker; Biochemistry; Hydroxysteroid Dehydrogenases; Hydroxysteroid dehydrogenase; Biology","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":[0.0004243774,0.0007485189,0.0007903275,0.0002308489,0.0002193531,0.0005411794,0.0008706241,0.0004474617,0.0008693972],"category_scores_gemma":[0.0003041371,0.0003206551,0.0003294151,0.0002696107,0.0002682896,0.0003596077,0.0003496821,0.000539193,0.0003917505],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005253172,"about_ca_system_score_gemma":0.0004520969,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005568168,"about_ca_topic_score_gemma":0.001883578,"domain_scores_codex":[0.9998072,0.00004124542,0.00001558845,0.00005102999,0.00003985739,0.00004512073],"domain_scores_gemma":[0.9999372,0.00001357549,0.00001838519,0.000005771695,0.00001102675,0.00001396985],"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":[0.0009668961,0.0007811741,0.0009309964,0.0006327848,0.0002299784,0.0005670921,0.0001846533,0.0340292,0.8949739,0.005559563,0.001262097,0.05988159],"study_design_scores_gemma":[0.0006968793,0.003894287,0.0009617274,0.00002234588,0.0002237931,0.0008733547,0.00006077774,0.02986105,0.9405383,0.0005761841,0.02222431,0.00006695466],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9099998,0.009311462,0.07121034,0.0003995658,0.0001216106,0.0006963898,0.000531471,0.0006416841,0.007087687],"genre_scores_gemma":[0.9480182,0.004819314,0.0431699,0.0001372346,0.00002511365,0.0003062543,0.00047796,0.0000538463,0.002992274],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008706241,"threshold_uncertainty_score":0.003811419,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01496040589374955,"score_gpt":0.210978776409604,"score_spread":0.1960183705158545,"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."}}