{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003206508,0.000360867,0.0003007998,0.0002528471,0.0002120521,0.00015326,0.0004959097,0.0003008159,0.002915625],"category_scores_gemma":[0.0002246523,0.0001824513,0.0002365019,0.0003151036,0.0001458641,0.0002225515,0.0002081943,0.0004208545,0.0008449584],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003555801,"about_ca_system_score_gemma":0.0004209274,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009416856,"about_ca_topic_score_gemma":0.002748831,"domain_scores_codex":[0.9998715,0.00002723629,0.00001229924,0.00001512926,0.00002209569,0.00005185038],"domain_scores_gemma":[0.9999127,0.00001194476,0.00002399458,0.00000765261,0.00001439898,0.00002929008],"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":[0.0003656868,0.0002219751,0.0001780973,0.0002751048,0.00002341553,0.0002846495,0.0001172081,0.001307158,0.9830772,0.00167118,0.0007942716,0.01168413],"study_design_scores_gemma":[0.0001704787,0.002516097,0.002136281,0.00002521698,0.00004086594,0.0002952467,0.00002937129,0.001871641,0.9771095,0.0001423105,0.01562919,0.00003377733],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9315561,0.0121948,0.03507364,0.000736954,0.0002712028,0.0005403111,0.002145798,0.0004989192,0.01698218],"genre_scores_gemma":[0.9770588,0.004716823,0.01043962,0.0001446924,0.00003527737,0.0001641423,0.0009180692,0.00003088245,0.00649174],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002915625,"threshold_uncertainty_score":0.009753704,"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."}}