{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0009757093,0.0002439865,0.0005420644,0.00008567794,0.00008021422,0.0000105185,0.0002003962,0.0003125891,0.00001583412],"category_scores_gemma":[0.000315969,0.0002073674,0.0001666378,0.0001281937,0.000480425,0.00002847606,0.0001125906,0.0002924688,1.422337e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001964033,"about_ca_system_score_gemma":0.0004440542,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001208385,"about_ca_topic_score_gemma":2.266751e-7,"domain_scores_codex":[0.9980488,0.0001553796,0.0006968548,0.0002393069,0.0006437976,0.0002158239],"domain_scores_gemma":[0.9984649,0.0001202436,0.0007369276,0.0002382444,0.000215488,0.0002242036],"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":[0.0003312251,0.0001018871,0.003844566,0.0003353825,0.0003676887,0.0001178665,0.0002183561,0.00007681031,0.9916647,0.000009192018,0.0001864486,0.002745884],"study_design_scores_gemma":[0.001596477,0.0003271525,0.001044334,0.0003798704,0.0005211119,0.004558547,0.0003464009,0.0005260581,0.9901205,0.0001112423,0.0002808619,0.0001874099],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9526187,0.04661741,0.0001355257,0.0001069297,0.0000591516,0.0001371005,0.00001769604,0.000004525897,0.0003029082],"genre_scores_gemma":[0.9946871,0.003814186,0.00119298,0.0000315932,0.0001900979,0.000005108182,0.00002761803,0.00003082718,0.00002043874],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04280323,"threshold_uncertainty_score":0.8456198,"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."}}