{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0002342018,0.0003040564,0.0004181241,0.00004130632,0.0001449105,0.0000300067,0.0002728043,0.0001173393,0.0000198018],"category_scores_gemma":[0.0007851411,0.0002795648,0.00006123864,0.0001969242,0.0005458842,0.0001351234,0.0001054549,0.000295812,0.00001472631],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003488983,"about_ca_system_score_gemma":0.00003721335,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000003562118,"about_ca_topic_score_gemma":1.517258e-7,"domain_scores_codex":[0.9979608,0.0001744677,0.0003986071,0.0006672418,0.0003654306,0.000433467],"domain_scores_gemma":[0.998528,0.0006306571,0.0002868149,0.0003207094,0.00004835532,0.0001854634],"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":[0.0001850134,0.00004610217,0.0000402818,0.0002143925,0.000009180989,0.00002998121,0.00005338643,0.00103274,0.9951227,0.000008166195,0.00172601,0.001532058],"study_design_scores_gemma":[0.0004697161,0.0001182143,0.0001154063,0.0001653921,0.00003621876,0.00008439465,0.00002081093,0.0009642903,0.9975925,0.0000189547,0.0001484372,0.0002656743],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9962552,0.00002771392,0.002053878,0.00114726,0.0001546599,0.0001570074,0.00001396116,0.00007022268,0.0001201368],"genre_scores_gemma":[0.9956052,0.0003798637,0.0004142627,0.00313762,0.0003815957,0.00002096963,0.00001233637,0.0000434041,0.000004793423],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002469804,"threshold_uncertainty_score":0.9999657,"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."}}