{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0003474641,0.0002992986,0.0004698402,0.0002692205,0.00009515783,0.00002715985,0.0001807248,0.0001768711,3.025052e-7],"category_scores_gemma":[0.0003746126,0.0002644134,0.00006775744,0.0004958312,0.0002852123,0.00002169982,0.0002192795,0.0002501871,0.00000114868],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003212011,"about_ca_system_score_gemma":0.0001036406,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003846646,"about_ca_topic_score_gemma":0.00002213809,"domain_scores_codex":[0.9982884,0.0001952523,0.0004693302,0.0005675549,0.000122928,0.0003565637],"domain_scores_gemma":[0.9992966,0.00006785966,0.0001492174,0.0003399148,0.00009203186,0.00005438456],"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":[0.0004516195,0.0001599867,0.002682067,0.0002007243,0.0001808882,0.00001606774,0.0002656475,0.00001009568,0.9939471,0.00002092287,0.0001508969,0.001913999],"study_design_scores_gemma":[0.001041932,0.0002134495,0.001138996,0.0002813091,0.00004535891,0.00001221401,0.0003900943,0.000009884366,0.99636,0.00005906392,0.0002014995,0.0002461968],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9668497,0.03189091,4.979094e-7,0.0002594308,0.0002220012,0.0005163929,0.000008711123,0.00001779717,0.0002345168],"genre_scores_gemma":[0.9985355,0.0007945652,0.0001679275,0.00009580897,0.00006385197,0.00004458202,0.00003503,0.0000270095,0.0002357034],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03168578,"threshold_uncertainty_score":0.9999808,"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."}}