{"id":"W1965932017","doi":"10.1016/j.bmc.2012.09.027","title":"Synthesis of 1,4-bis(indolin-1-ylmethyl)benzene derivatives and their structure–activity relationships for the interaction of human carbonic anhydrase isoforms I and II","year":2012,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry","topic":"Enzyme function and inhibition","field":"Biochemistry, Genetics and Molecular Biology","cited_by":15,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Calgary","funders":"","keywords":"Chemistry; Carbonic anhydrase; Isozyme; Stereochemistry; Carbonic Anhydrase I; Gene isoform; Carbonic anhydrase II; Enzyme; Docking (animal); Indole test; In silico; Benzene; Structure–activity relationship; Benzene derivatives; Chemical synthesis; In vitro; Biochemistry; Organic chemistry; Gene","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":[0.0003002636,0.0001372599,0.0001708876,0.00002058768,0.0001784361,0.000004512536,0.00006350557,0.0001565834,0.0000369577],"category_scores_gemma":[0.0004491791,0.00009216955,0.00004868796,0.00006243086,0.0001968971,0.00001440804,0.00006265752,0.0001376164,4.890653e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001594267,"about_ca_system_score_gemma":0.00003702074,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000200464,"about_ca_topic_score_gemma":0.000008515882,"domain_scores_codex":[0.9993675,0.0000358101,0.0002062475,0.000169205,0.00008182233,0.0001393537],"domain_scores_gemma":[0.9993178,0.0001377931,0.0002093437,0.000193151,0.00007338047,0.00006852481],"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":[0.00009468516,0.00004801455,0.002264328,0.0001153413,0.00006133904,2.945029e-8,0.000221835,4.419336e-7,0.9959722,0.00002481065,0.0001140603,0.001082911],"study_design_scores_gemma":[0.0003503307,0.0001412756,0.008923866,0.00004842507,0.00006603244,0.00002132644,0.001211231,0.00002755217,0.9885289,0.00004555464,0.0005416599,0.00009384865],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9970745,0.001793332,0.0005537844,0.0001693818,0.00007190261,0.0001361023,0.00004452906,0.00000600916,0.0001504567],"genre_scores_gemma":[0.9993607,0.0001504061,0.00005088151,0.00002811116,0.0002752834,0.00001240403,0.00003914084,0.00001362472,0.00006948534],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007443307,"threshold_uncertainty_score":0.3758565,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02109319410710967,"score_gpt":0.2577112712421769,"score_spread":0.2366180771350672,"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."}}