{"id":"W4406717450","doi":"10.1021/acsptsci.4c00582","title":"Characterization of the Active Enantiomer and Mapping of the Stereospecific Intermolecular Pattern of a Reference P2X7 Allosteric Antagonist","year":2025,"lang":"en","type":"article","venue":"ACS Pharmacology & Translational Science","topic":"Adenosine and Purinergic Signaling","field":"Biochemistry, Genetics and Molecular Biology","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Discovery Centre","funders":"Institut National de la Santé et de la Recherche Médicale; University of Sussex; Université de Lille","keywords":"Enantiomer; Allosteric regulation; Chemistry; Stereochemistry; Racemic mixture; Stereospecificity; Circular dichroism; Chiral column chromatography; Agonist; Antagonist; Receptor; Biochemistry","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0002402028,0.0004221073,0.0002920782,0.0004510831,0.000237916,0.0003961157,0.0004708161,0.0004038263,0.008701285],"category_scores_gemma":[0.0002304476,0.0002138714,0.0002938058,0.0003922272,0.0002667918,0.0003343394,0.0002389312,0.0008178673,0.002301318],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002609068,"about_ca_system_score_gemma":0.0002128413,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006701691,"about_ca_topic_score_gemma":0.0007592124,"domain_scores_codex":[0.9998478,0.00001416497,0.000007078262,0.00004326461,0.00005347584,0.00003427569],"domain_scores_gemma":[0.9998856,0.00002263506,0.00002041306,0.00001750615,0.00003037714,0.0000234515],"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":[0.0001256176,0.00002439792,0.0001000024,0.00004175958,0.000007390938,0.00007720006,0.00002338288,0.0001210769,0.9957284,0.0002018991,0.000198467,0.003350479],"study_design_scores_gemma":[0.00001681547,0.0001419065,0.001328642,0.000005600946,0.00001223924,0.0002331869,0.0000328018,0.001988074,0.992504,0.00006261923,0.003664779,0.000009491554],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9226811,0.00223618,0.04817088,0.0004728608,0.0000783885,0.0001578796,0.002761397,0.0008062681,0.02263494],"genre_scores_gemma":[0.9090909,0.003101546,0.05627116,0.0003174385,0.00005343672,0.0002630358,0.00591291,0.0006603543,0.02432922],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008701285,"threshold_uncertainty_score":0.0291087,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01330801002107738,"score_gpt":0.2737391358411972,"score_spread":0.2604311258201198,"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."}}