{"id":"W4313890108","doi":"10.3390/molecules28020632","title":"Chemical Synthesis and Biological Evaluation of 3-Substituted Estrone/Estradiol Derivatives as 17β-Hydroxysteroid Dehydrogenase Type 1 Inhibitors Acting via a Reverse Orientation of the Natural Substrate Estrone","year":2023,"lang":"en","type":"article","venue":"Molecules","topic":"Estrogen and related hormone effects","field":"Biochemistry, Genetics and Molecular Biology","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval","funders":"College of Engineering, Michigan State University; Michigan State University","keywords":"Estrone; Steroid; Hydroxysteroid dehydrogenase; Chemistry; Enzyme; Stereochemistry; Dehydrogenase; Estrogen; Docking (animal); Aromatase; Ether; IC50; Hormone; Biochemistry; In vitro; Biology; Internal medicine; Endocrinology; Cancer; Medicine; Breast cancer","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":[0.0001891692,0.0003598347,0.0002966365,0.0002227714,0.0001136911,0.0001389132,0.0002925807,0.0002560531,0.001616611],"category_scores_gemma":[0.0001643741,0.0001523798,0.0003180559,0.0002525664,0.0001119493,0.0001922726,0.0001480426,0.0003861056,0.0005186831],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001712339,"about_ca_system_score_gemma":0.0001635796,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003570121,"about_ca_topic_score_gemma":0.0007035791,"domain_scores_codex":[0.9999211,0.00001493909,0.000009618047,0.0000152639,0.00001686869,0.00002215051],"domain_scores_gemma":[0.9999367,0.00001013156,0.00001515249,0.000008843122,0.00001473759,0.00001438716],"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":[0.0003109742,0.0001966045,0.00009447203,0.0003311178,0.00002308835,0.0001922424,0.0000491892,0.0009596145,0.9896867,0.0003739912,0.0001810772,0.007600963],"study_design_scores_gemma":[0.00007935194,0.002295896,0.0008514785,0.00002336675,0.00003988856,0.000176807,0.00002369641,0.0007800387,0.9869589,0.00005887406,0.008693938,0.00001780618],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9742694,0.009463975,0.00750291,0.0001479207,0.00008891251,0.0003037299,0.001481617,0.0001164852,0.006624917],"genre_scores_gemma":[0.9792748,0.007883952,0.007581554,0.00008267209,0.00002058745,0.0001319071,0.001050442,0.00002363261,0.003950442],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001616611,"threshold_uncertainty_score":0.005408049,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01553540502752607,"score_gpt":0.2644420466412857,"score_spread":0.2489066416137597,"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."}}