{"id":"W4406683339","doi":"10.1016/j.jorganchem.2025.123526","title":"Regioselective domino C–C/C–O arylation of 1,2,3-triiodobenzenes and 1,3-diketones: Synthesis and in silico evaluation of 7-iodobenzo[b]furan as potential ALK inhibitors","year":2025,"lang":"en","type":"article","venue":"Journal of Organometallic Chemistry","topic":"Synthesis and Biological Evaluation","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta; Alberta Glycomics Centre","funders":"Qatar National Library; Deanship of Research, Jordan University of Science and Technology; Qatar University; Jordan University of Science and Technology","keywords":"Chemistry; Regioselectivity; Domino; Furan; In silico; Medicinal chemistry; Stereochemistry; Combinatorial chemistry; Organic chemistry; Catalysis; 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001542218,0.0001902457,0.000576326,0.0001681772,0.00004168798,0.00002208531,0.0001462643,0.0002637442,0.0006409943],"category_scores_gemma":[0.002543997,0.0001572062,0.0001379354,0.0003595858,0.0001598042,0.0001505714,0.00005703476,0.0001922904,3.062549e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001344993,"about_ca_system_score_gemma":0.0002456658,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002629209,"about_ca_topic_score_gemma":0.000004258418,"domain_scores_codex":[0.9979817,0.000102238,0.0009783849,0.0002445584,0.0005504529,0.000142693],"domain_scores_gemma":[0.9977838,0.0004654953,0.0009558744,0.0001626927,0.0005678158,0.00006425629],"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":[0.0003010604,0.0001779163,0.007271292,0.000346705,0.0001517894,0.000002207669,0.0001227296,0.00007494562,0.9532744,0.000007968579,0.000008383056,0.03826059],"study_design_scores_gemma":[0.001173595,0.00003296233,0.02817808,0.0004460213,0.0004156655,0.00004619272,0.001048406,0.000580018,0.9669567,0.0009704937,0.00002179424,0.0001301072],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.994211,0.003343695,0.00001923523,0.0001769955,0.00003865138,0.00009298121,0.00000834695,0.000005492558,0.00210358],"genre_scores_gemma":[0.9991089,0.0005991044,0.0001199103,0.00001023591,0.0000868903,0.000005529642,0.000003929106,0.00001006446,0.00005543751],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03813048,"threshold_uncertainty_score":0.7018439,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01400013551900282,"score_gpt":0.2665676625487489,"score_spread":0.2525675270297461,"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."}}