{"id":"W2047788208","doi":"10.1016/j.bmc.2007.05.029","title":"Selection, synthesis, and structure–activity relationship of tetrahydropyrido[4,3-d]pyrimidine-2,4-diones as human GnRH receptor antagonists","year":2007,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":42,"is_retracted":false,"has_abstract":false,"ca_institutions":"University Health Network","funders":"","keywords":"In silico; Chemistry; Pyrimidine; Template; Novelty; In vitro; Selection (genetic algorithm); Receptor; Stereochemistry; Molecular model; Computational biology; Combinatorial chemistry; Pharmacology; Biochemistry; Nanotechnology; Computer science; Gene; Biology; Artificial intelligence","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":[0.0002666756,0.0002253508,0.0003011961,0.0002529158,0.0001375763,0.0003601101,0.0003217692,0.0001819296,0.001222206],"category_scores_gemma":[0.0002866829,0.000174466,0.0001574903,0.0002476297,0.0001492755,0.0001130859,0.0001358936,0.0003013581,0.0002676195],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003150111,"about_ca_system_score_gemma":0.0002850368,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008467279,"about_ca_topic_score_gemma":0.002309537,"domain_scores_codex":[0.9998821,0.00003886011,0.00001430528,0.00001963735,0.00002225038,0.00002282685],"domain_scores_gemma":[0.9998978,0.00002695951,0.0000191297,0.00001164185,0.00001626355,0.00002829746],"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":[0.0007804173,0.0001250511,0.0005410001,0.0001369192,0.00002106748,0.0002572661,0.00008422853,0.001916722,0.9772184,0.0005720199,0.000308483,0.01803847],"study_design_scores_gemma":[0.0002898043,0.003000864,0.002089262,0.00001464615,0.00006650983,0.0005370611,0.00003562718,0.002283426,0.9775017,0.000114655,0.01404463,0.00002171355],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9816405,0.008951087,0.004699097,0.0001751115,0.00008289512,0.0001599399,0.0006142202,0.00007071165,0.003606443],"genre_scores_gemma":[0.9838567,0.004937879,0.006033298,0.00008250698,0.00002535447,0.00005282471,0.0008273383,0.00002819237,0.004155943],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001222206,"threshold_uncertainty_score":0.00408864,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008190125641397565,"score_gpt":0.25676244510698,"score_spread":0.2485723194655824,"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."}}