{"id":"W2079065151","doi":"10.1016/j.bmcl.2013.12.033","title":"Design and synthesis of potential dual NK1/NK3 receptor antagonists","year":2013,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Receptor Mechanisms and Signaling","field":"Biochemistry, Genetics and Molecular Biology","cited_by":7,"is_retracted":false,"has_abstract":false,"ca_institutions":"Université de Montréal","funders":"Institut de Recherches Servier; Natural Sciences and Engineering Research Council of Canada; Université de Montréal; Fonds Québécois de la Recherche sur la Nature et les Technologies","keywords":"Chemistry; Tachykinin receptor; Peptidomimetic; Receptor; Pharmacology; Stereochemistry; Combinatorial chemistry; Biochemistry; Substance P; Medicine; Peptide","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0002119017,0.0004042405,0.0004098211,0.0002213883,0.0002610957,0.0004005977,0.0005213055,0.0003240881,0.003121802],"category_scores_gemma":[0.0001550705,0.0002587783,0.0002661232,0.000206794,0.0001895939,0.0003762552,0.0004469574,0.0006935764,0.00128598],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004369271,"about_ca_system_score_gemma":0.0004432098,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004013236,"about_ca_topic_score_gemma":0.001112048,"domain_scores_codex":[0.9999162,0.00001185508,0.000008622736,0.00001420918,0.00001529316,0.0000339445],"domain_scores_gemma":[0.9999629,0.000003891657,0.000008728191,0.00000393886,0.000006705021,0.00001390878],"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":[0.0007382648,0.000240343,0.0002594574,0.0005812038,0.00006144877,0.0006803254,0.0001628919,0.003725166,0.9232828,0.01103709,0.002749494,0.05648151],"study_design_scores_gemma":[0.0006986263,0.002870203,0.0008350516,0.00008190658,0.0001321424,0.00140284,0.00008860614,0.007743977,0.8667825,0.00270571,0.1165806,0.00007790784],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.832578,0.02072017,0.1064203,0.001676506,0.0005785216,0.001113136,0.002350509,0.0007487411,0.03381409],"genre_scores_gemma":[0.9202467,0.01476151,0.04616021,0.0005588744,0.00007130686,0.0004919504,0.00135516,0.00008270777,0.01627157],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003121802,"threshold_uncertainty_score":0.01044345,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006025278423839171,"score_gpt":0.1946126992072466,"score_spread":0.1885874207834075,"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."}}