{"id":"W4391430144","doi":"10.1016/j.bmc.2024.117619","title":"Synthesis and biological evaluation of 1H-pyrrolo[3,2–g]isoquinolines","year":2024,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry","topic":"Biochemical and Molecular Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":8,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Sorbonne Université; Novartis Pharma; Deutschen Konsortium für Translationale Krebsforschung; Ministère de l'Education Nationale, de l'Enseignement Superieur et de la Recherche; Ontario Ministry of Economic Development and Innovation; Infrastructures en Biologie Santé et Agronomie; Conseil Régional de Bretagne; Centre National de la Recherche Scientifique; Ministère de l'Enseignement supérieur, de la Recherche et de l'Innovation; European Federation of Pharmaceutical Industries and Associations; Merck KGaA; Ministero dello Sviluppo Economico; Cancéropôle Grand Ouest; Diamond Light Source; Genome Canada; Pfizer","keywords":"Chemistry; Isoquinoline; Potency; IC50; Kinase; Stereochemistry; Structure–activity relationship; Biological activity; Selectivity; Chemical synthesis; Cell culture; In vitro; Biochemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006530258,0.0001633509,0.0001776889,0.00002647238,0.00003320747,0.00001573972,0.000179179,0.0002922429,0.0002733211],"category_scores_gemma":[0.0007547509,0.0001252564,0.00007685837,0.0001418998,0.0003137989,0.000002555646,0.0001520367,0.0001513005,0.000007291314],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002025882,"about_ca_system_score_gemma":0.0001933123,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000009059193,"about_ca_topic_score_gemma":8.173454e-7,"domain_scores_codex":[0.9986365,0.00005911917,0.0002270366,0.0004457415,0.000402789,0.0002287602],"domain_scores_gemma":[0.9993787,0.000037933,0.00003768178,0.0002532213,0.0001597177,0.0001327732],"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":[0.00004526331,0.00003573148,0.0002220232,0.0001851821,0.00006836172,0.000006038197,0.00001423968,1.793801e-7,0.9858846,0.00001536841,0.001188105,0.01233489],"study_design_scores_gemma":[0.0002335673,0.00008330766,0.0005194697,0.00009922691,0.00008706859,0.00008865685,0.00007152685,0.0001490384,0.9917561,0.0001068034,0.006666271,0.0001389625],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9761432,0.02177052,0.0001069693,0.0006280229,0.00006804875,0.0001231068,0.00002078104,0.00002252235,0.001116822],"genre_scores_gemma":[0.9982368,0.0009901666,0.00007657948,0.00007210402,0.0003749634,0.00002787166,0.00007312999,0.00001861998,0.0001297368],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02209362,"threshold_uncertainty_score":0.5107806,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03721354312279886,"score_gpt":0.3160242448471188,"score_spread":0.2788107017243199,"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."}}