{"id":"W2038449946","doi":"10.1021/jm8001795","title":"Synthesis and Evaluation of Estrogen Agonism of Diaryl 4,5-Dihydroisoxazoles, 3-Hydroxyketones, 3-Methoxyketones, and 1,3-Diketones: A Compound Set Forming a 4D Molecular Library","year":2008,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Estrogen and related hormone effects","field":"Biochemistry, Genetics and Molecular Biology","cited_by":35,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"Academy of Finland","keywords":"Chemistry; Agonism; Estrogen; Stereochemistry; Combinatorial chemistry; Set (abstract data type); Chemical synthesis; Biochemistry; Endocrinology; In vitro","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":[0.0002137257,0.0004407033,0.0004627831,0.0004450385,0.0001545339,0.0002360282,0.0003590885,0.0001777617,0.001764319],"category_scores_gemma":[0.0002175384,0.0001799122,0.0002361336,0.0004230239,0.0001525212,0.0002357181,0.0001892567,0.0003558843,0.000541931],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002177042,"about_ca_system_score_gemma":0.000296362,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003693327,"about_ca_topic_score_gemma":0.0009138127,"domain_scores_codex":[0.9998628,0.0000284041,0.00001547486,0.00002820239,0.00004119351,0.00002380866],"domain_scores_gemma":[0.9998832,0.00001818134,0.00002375737,0.00001983409,0.00002716086,0.00002789128],"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":[0.0003674247,0.0002598781,0.0003939458,0.0001873079,0.00002883647,0.0001456839,0.00005533743,0.001327585,0.9762773,0.0001725209,0.0001455395,0.02063864],"study_design_scores_gemma":[0.0001400548,0.006245239,0.00203778,0.00001936305,0.00009098883,0.0003535148,0.00004097728,0.0006173348,0.9835042,0.00005744721,0.00687208,0.00002109641],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9842721,0.005517849,0.004364023,0.00009206458,0.00003614444,0.0002678125,0.001552506,0.00009931853,0.003798153],"genre_scores_gemma":[0.9716642,0.007309305,0.01278482,0.00009184312,0.0000196973,0.0001784786,0.002535652,0.00003258114,0.005383538],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001764319,"threshold_uncertainty_score":0.00590229,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01396679188256604,"score_gpt":0.2595736560928327,"score_spread":0.2456068642102666,"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."}}