{"id":"W4413128454","doi":"10.1021/acsomega.5c06242","title":"Natural Product-Inspired Bis(trifluoromethyl) Phenyl Hydroxycinnamate Derivatives as Promising Nonsteroidal Inhibitors of Human Steroid 5α-Reductase Type-1: Synthesis, In Vitro, and In Silico Studies","year":2025,"lang":"en","type":"article","venue":"ACS Omega","topic":"Estrogen and related hormone effects","field":"Biochemistry, Genetics and Molecular Biology","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Artificial Intelligence in Medicine (Canada)","funders":"Thailand Science Research and Innovation; Chulalongkorn University","keywords":"In silico; Natural product; Steroid; In vitro; Trifluoromethyl; Chemistry; Nonsteroidal; Biochemistry; Pharmacology; Biology; Organic chemistry; Hormone; Gene; Alkyl","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":[0.0001082165,0.0003036232,0.0001912872,0.0001853519,0.00007813964,0.000121356,0.0002088146,0.0001940763,0.001384863],"category_scores_gemma":[0.00007453604,0.00009600129,0.0002752941,0.0001322795,0.0001056735,0.0001655001,0.00008949592,0.0002735865,0.0003373935],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001851938,"about_ca_system_score_gemma":0.000106403,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008397428,"about_ca_topic_score_gemma":0.002376392,"domain_scores_codex":[0.9999615,0.000007333256,0.000002382883,0.000006619518,0.00001126726,0.00001081834],"domain_scores_gemma":[0.9999698,0.000004669584,0.000009362279,0.000002576891,0.000007049584,0.000006441428],"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":[0.0002000712,0.000052409,0.00006780592,0.0002016981,0.00001316419,0.0001039543,0.00001992206,0.0003283419,0.9933947,0.0001889804,0.0001724379,0.005256661],"study_design_scores_gemma":[0.00004873622,0.001151136,0.001224024,0.00002054718,0.00004637413,0.0002817245,0.00002610648,0.001119691,0.9869732,0.00006103309,0.00903041,0.00001700402],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9608712,0.02055445,0.009314342,0.0003138304,0.0000776895,0.0001977726,0.001072815,0.0001731023,0.007424926],"genre_scores_gemma":[0.9815507,0.008311596,0.005809607,0.0001325488,0.00001488307,0.00004260976,0.0007838248,0.00001891724,0.003335385],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001384863,"threshold_uncertainty_score":0.004632771,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007793250874081183,"score_gpt":0.2777368733609303,"score_spread":0.2699436224868491,"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."}}