{"id":"W2087386649","doi":"10.1021/op8002085","title":"First Scale-Up Synthesis of WAY-262398, a Novel, Dual-Acting SSRI/5HT1a Antagonist","year":2008,"lang":"en","type":"article","venue":"Organic Process Research & Development","topic":"Pharmacological Receptor Mechanisms and Effects","field":"Biochemistry, Genetics and Molecular Biology","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"Women's Health Research Institute","funders":"","keywords":"Diastereomer; Antagonist; Combinatorial chemistry; Dual (grammatical number); Chemistry; Chiral resolution; Resolution (logic); Enantiomer; Stereochemistry; Computer science; Receptor; 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":[0.0002713894,0.0005432747,0.0007472716,0.0004460851,0.0002561549,0.0005677295,0.0006121096,0.0004795703,0.002783513],"category_scores_gemma":[0.0003260902,0.0002591918,0.0006274221,0.0002498149,0.0001879986,0.0004209129,0.0004338649,0.0008126841,0.001689774],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002495157,"about_ca_system_score_gemma":0.0005264041,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002988065,"about_ca_topic_score_gemma":0.0007745284,"domain_scores_codex":[0.9998022,0.00003363833,0.00002295828,0.00004070386,0.00006233225,0.0000381322],"domain_scores_gemma":[0.9998906,0.00001652289,0.00002214991,0.00002124573,0.00001795045,0.00003149177],"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":[0.0001951892,0.0001436173,0.0001145209,0.0002024176,0.00003637915,0.0004893539,0.00007505977,0.0005366227,0.9759905,0.001246203,0.000385508,0.02058453],"study_design_scores_gemma":[0.0001260973,0.001267049,0.0005965282,0.00001355122,0.00008153042,0.0008825138,0.00002368093,0.0007721254,0.9730381,0.0002948414,0.02288033,0.00002366126],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7552891,0.008964092,0.20705,0.0005788887,0.0004600198,0.002250724,0.003872287,0.001060353,0.02047465],"genre_scores_gemma":[0.7903441,0.006039798,0.183289,0.0001724779,0.00009692171,0.0008264945,0.003112166,0.0002165589,0.01590254],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002783513,"threshold_uncertainty_score":0.009311736,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04386103044591502,"score_gpt":0.3343920617838617,"score_spread":0.2905310313379467,"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."}}