{"id":"W4285729443","doi":"10.1021/acs.jmedchem.2c00582","title":"Design, Synthesis, and Biological Activity of New CB2 Receptor Ligands: from Orthosteric and Allosteric Modulators to Dualsteric/Bitopic Ligands","year":2022,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Pharmacological Receptor Mechanisms and Effects","field":"Biochemistry, Genetics and Molecular Biology","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University; University of Saskatchewan","funders":"Canadian Institutes of Health Research; Ministero della Salute; Natural Sciences and Engineering Research Council of Canada; Università di Pisa; GlaxoSmithKline","keywords":"Chemistry; Allosteric regulation; G protein-coupled receptor; Functional selectivity; Receptor; Ligand (biochemistry); Allosteric modulator; Stereochemistry; Pharmacology; Biochemistry; 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":[0.0002064028,0.0004121763,0.0003850031,0.000236005,0.0001781931,0.0004467444,0.0003557815,0.0002451579,0.002520886],"category_scores_gemma":[0.0001189796,0.0001561356,0.0002583308,0.0002525445,0.0001484629,0.0002685197,0.0002864117,0.0005801338,0.0006058706],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003444836,"about_ca_system_score_gemma":0.0002993825,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007355767,"about_ca_topic_score_gemma":0.002645559,"domain_scores_codex":[0.9999348,0.00001160214,0.000005466712,0.00001424102,0.00001410725,0.00001978411],"domain_scores_gemma":[0.9999639,0.000003483103,0.000008625377,0.000003869877,0.000009011421,0.00001110303],"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":[0.0009255302,0.0004948637,0.0003696178,0.0005510068,0.00006265051,0.0002260734,0.00009694603,0.007166065,0.9425826,0.002269493,0.001353687,0.04390135],"study_design_scores_gemma":[0.0007969499,0.004344602,0.001710233,0.00006586004,0.0002160634,0.000776226,0.0001134012,0.0148531,0.9493657,0.0008509161,0.02682925,0.00007770443],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9429541,0.01296585,0.03037468,0.000674261,0.0001398607,0.0006641982,0.00155335,0.0003940897,0.01027963],"genre_scores_gemma":[0.9603748,0.007234905,0.02317405,0.0003449124,0.00002205235,0.0002742755,0.0009281168,0.0000779231,0.007568881],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002520886,"threshold_uncertainty_score":0.008433223,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02372931291003973,"score_gpt":0.2651181968481776,"score_spread":0.2413888839381379,"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."}}