{"id":"W2499300808","doi":"10.1021/acs.jmedchem.6b00566","title":"Structure–Activity Relationship and Signaling of New Chimeric CXCR4 Agonists","year":2016,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Chemokine receptors and signaling","field":"Medicine","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"Centre Hospitalier Universitaire Sainte-Justine; Université de Montréal; Université de Sherbrooke","funders":"Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research; Canada Foundation for Innovation","keywords":"Chemistry; Inverse agonist; Agonist; Receptor; Stereochemistry; Affinities; G protein-coupled receptor; Ligand (biochemistry); Oligopeptide; Chemotaxis; CXCR4; Chemokine receptor; Chemokine; Small molecule; Biophysics; Biochemistry; Peptide; Biology","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":[0.0001065391,0.0001866444,0.0002599615,0.0001125997,0.0001123826,0.0002891451,0.0002790513,0.000221798,0.001624069],"category_scores_gemma":[0.0001299643,0.0001045976,0.0002036131,0.0001147432,0.0001319293,0.000180148,0.0001358401,0.0004281623,0.0002064162],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004630582,"about_ca_system_score_gemma":0.0001963494,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000656117,"about_ca_topic_score_gemma":0.0007541778,"domain_scores_codex":[0.9999396,0.00001122295,0.000002727072,0.00000896483,0.00001706194,0.00002043144],"domain_scores_gemma":[0.9999611,0.000009498138,0.0000101989,0.000002627282,0.000005839497,0.00001068481],"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":[0.000863897,0.0003452944,0.001074161,0.0001904839,0.00006905606,0.0003223621,0.00009159886,0.04820016,0.9339374,0.005264678,0.0005543957,0.009086533],"study_design_scores_gemma":[0.000403388,0.003672807,0.003627246,0.00002196223,0.0001301967,0.000578942,0.0001093995,0.1986818,0.7802908,0.001212698,0.01120821,0.00006254845],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9951327,0.001095482,0.001749015,0.0001024671,0.000008034851,0.00001248182,0.000160063,0.00004134537,0.001698273],"genre_scores_gemma":[0.9970067,0.0004927987,0.001484528,0.00003193914,0.000002202443,0.00001189173,0.0002708941,0.000006359357,0.0006925136],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001624069,"threshold_uncertainty_score":0.005433083,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01820252703659717,"score_gpt":0.2738253597839368,"score_spread":0.2556228327473396,"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."}}