{"id":"W2335424153","doi":"10.1021/jm5004123","title":"Shuttle–Cargo Fusion Molecules of Transport Peptides and the hD<sub>2/3</sub>Receptor Antagonist Fallypride: A Feasible Approach To Preserve Ligand–Receptor Binding?","year":2014,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Drug Transport and Resistance Mechanisms","field":"Medicine","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Research Council Canada; Jewish General Hospital; McGill University; Montreal Neurological Institute and Hospital","funders":"Natural Sciences and Engineering Research Council of Canada; Réseau en Bio-Imagerie du Quebec","keywords":"Chemistry; Transcytosis; Receptor; Small molecule; Biophysics; Ligand (biochemistry); Docking (animal); Blood–brain barrier; Binding site; Stereochemistry; Binding affinities; Biochemistry; Endocytosis; Biology; Neuroscience","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":[0.0001901816,0.0003312998,0.0004354419,0.00009288764,0.0001154327,0.0004016353,0.00020517,0.0004316274,0.0005780887],"category_scores_gemma":[0.0001378626,0.0001066677,0.000188631,0.0001199435,0.0002399304,0.0004356086,0.0001561297,0.0003707211,0.0002479271],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002641011,"about_ca_system_score_gemma":0.0001425604,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004776535,"about_ca_topic_score_gemma":0.0005480408,"domain_scores_codex":[0.9999051,0.00002575478,0.000005698599,0.00001828769,0.00001677378,0.00002832115],"domain_scores_gemma":[0.9999582,0.000008912723,0.00001433146,0.000006371149,0.000005479169,0.000006774826],"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":[0.0001452668,0.00003090862,0.000135154,0.00005038219,0.00001278819,0.00009456748,0.00002517811,0.000237685,0.9950241,0.0004527984,0.00004739789,0.00374373],"study_design_scores_gemma":[0.00005248478,0.001006314,0.0009636261,0.000006247089,0.00003382628,0.0003536661,0.00002787735,0.00100633,0.9922907,0.0001136446,0.00413414,0.0000111789],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9818335,0.002969148,0.01289373,0.0003202234,0.00003091114,0.000118537,0.0001600484,0.0001059566,0.001567924],"genre_scores_gemma":[0.9909577,0.0008571342,0.007191204,0.00006310664,0.000007191073,0.00003081223,0.0001087913,0.00001085104,0.0007731077],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0005780887,"threshold_uncertainty_score":0.001933873,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007708174828563165,"score_gpt":0.2200163998690947,"score_spread":0.2123082250405316,"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."}}