{"id":"W2319359156","doi":"10.1021/ml400528y","title":"Design, Synthesis, and Optimization of Balanced Dual NK<sub>1</sub>/NK<sub>3</sub> Receptor Antagonists","year":2014,"lang":"en","type":"article","venue":"ACS Medicinal Chemistry Letters","topic":"Neuropeptides and Animal Physiology","field":"Neuroscience","cited_by":20,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"Institut de Recherches Servier; Natural Sciences and Engineering Research Council of Canada; Servier; Fonds Québécois de la Recherche sur la Nature et les Technologies","keywords":"Peptidomimetic; Receptor; Antagonism; Rational design; In vitro; Chemistry; Pharmacology; Biology; Biochemistry; Peptide; Genetics","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":[0.0002050728,0.0003780974,0.0005324566,0.0001847115,0.0001421433,0.0003772862,0.0003665931,0.0002313507,0.001353475],"category_scores_gemma":[0.000213395,0.0001906877,0.0001922702,0.0002610484,0.0001849303,0.0002550072,0.0002753424,0.0005232634,0.0006090013],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000391818,"about_ca_system_score_gemma":0.0005286593,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004074941,"about_ca_topic_score_gemma":0.001204117,"domain_scores_codex":[0.9998722,0.00001755502,0.00001523773,0.00002499775,0.00003934713,0.00003059183],"domain_scores_gemma":[0.999939,0.000006595487,0.000017155,0.000004912263,0.00001314225,0.00001922966],"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":[0.0003369671,0.00008985269,0.0001512547,0.0001609289,0.00002353606,0.000120435,0.00003202635,0.003595815,0.9774072,0.001117178,0.0001913225,0.01677347],"study_design_scores_gemma":[0.0003505534,0.003010578,0.001030374,0.00002235183,0.00008567631,0.00059447,0.00004137267,0.007037283,0.9712346,0.0004369411,0.01612418,0.00003172229],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9294328,0.004989543,0.05635671,0.0002062481,0.00008766555,0.0006124161,0.001004546,0.0002086482,0.007101374],"genre_scores_gemma":[0.9169997,0.005514331,0.07215677,0.000147137,0.00002777113,0.0003278855,0.00075863,0.00006953713,0.003998195],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001353475,"threshold_uncertainty_score":0.004527807,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01431603419770833,"score_gpt":0.2174727599549869,"score_spread":0.2031567257572786,"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."}}