{"id":"W2991166780","doi":"10.1021/acs.jmedchem.9b01142","title":"Application of Fluorine- and Nitrogen-Walk Approaches: Defining the Structural and Functional Diversity of 2-Phenylindole Class of Cannabinoid 1 Receptor Positive Allosteric Modulators","year":2019,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Cannabis and Cannabinoid Research","field":"Medicine","cited_by":60,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University; University of Saskatchewan","funders":"National Eye Institute; Canadian Institutes of Health Research; National Institute on Drug Abuse; GlaxoSmithKline","keywords":"Allosteric regulation; Chemistry; Allosteric modulator; Agonist; Pharmacology; Potency; Cannabinoid; Receptor; Stereochemistry; Biochemistry; In vitro; Medicine","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":[],"consensus_categories":[],"category_scores_codex":[0.000486358,0.0001190772,0.0004278852,0.00006061696,0.00005276263,0.000003717219,0.0001053253,0.0000956083,0.00005626252],"category_scores_gemma":[0.0001004738,0.00007911424,0.0001051612,0.0001466236,0.000341667,0.00005609525,0.0001397768,0.0003484089,1.722208e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000702718,"about_ca_system_score_gemma":0.0002176462,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006513202,"about_ca_topic_score_gemma":9.012441e-7,"domain_scores_codex":[0.9985311,0.0000318941,0.0004518524,0.0001420467,0.000706937,0.0001361936],"domain_scores_gemma":[0.9986306,0.0000406899,0.000559632,0.000154377,0.0004672591,0.0001473823],"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":[0.002265632,0.00009581707,0.3033044,0.001454149,0.0003237196,0.000005277466,0.001131956,0.00005108171,0.6857842,0.0001355517,0.0006973114,0.004750897],"study_design_scores_gemma":[0.005721882,0.0013241,0.3847777,0.0005337158,0.0004985154,0.001222053,0.008654336,0.001758554,0.594663,0.0002492166,0.0004062189,0.0001906957],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9965439,0.001738463,0.00005355331,0.001178552,0.00005371371,0.0001635225,0.0000217649,0.00000171419,0.0002448551],"genre_scores_gemma":[0.9994363,0.00005492621,0.000133025,0.00002984762,0.000131446,0.000001880529,0.00001224652,0.000008468769,0.0001918116],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.09112116,"threshold_uncertainty_score":0.3226185,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01306147287327252,"score_gpt":0.2370742264470089,"score_spread":0.2240127535737364,"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."}}