{"id":"W2073860179","doi":"10.1016/j.bmcl.2010.01.098","title":"Derivatives of aryl amines containing the cytotoxic 1,4-dioxo-2-butenyl pharmacophore","year":2010,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":17,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Saskatchewan; Acadia University","funders":"Vlaamse regering; Canadian Institutes of Health Research; Dalhousie University; Department of Biotechnology, Ministry of Science and Technology, India; Nova Scotia Health Research Foundation","keywords":"Pharmacophore; Chemistry; Stereochemistry; Moiety; Aryl; Cytotoxicity; Molecular model; Cytotoxic T cell; Electrophile; Chemical synthesis; Molecule; Quantitative structure–activity relationship; Structure–activity relationship; L1210 cells; In vitro; Biochemistry; Organic chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.000280516,0.0003133347,0.0004094648,0.00001518499,0.0001439371,0.00002070029,0.0006562847,0.0002007594,0.003924147],"category_scores_gemma":[0.0005644516,0.0001879284,0.0001565197,0.0001646031,0.0007039037,0.00005715671,0.0001269876,0.0007031663,0.000009405702],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003730281,"about_ca_system_score_gemma":0.00004329166,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000410992,"about_ca_topic_score_gemma":0.000002200699,"domain_scores_codex":[0.9984182,0.00001420833,0.0003965881,0.0004132728,0.0003679952,0.0003896945],"domain_scores_gemma":[0.9985514,0.0004925708,0.0003005833,0.0004467661,0.00006516216,0.0001435647],"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":[0.00008265783,0.00008405481,0.007753831,0.0001240719,0.000088965,0.00002308483,0.0001453997,1.133803e-7,0.9888197,0.00000479128,0.0005932166,0.002280066],"study_design_scores_gemma":[0.0004554338,0.00001390049,0.006255233,0.00006785797,0.00006238362,0.00008124111,0.0005658775,0.00001606967,0.9901504,0.00001533695,0.002084639,0.0002316368],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.993553,0.0001589074,0.00002711899,0.004801397,0.0001495881,0.00006673975,0.00002913516,0.00007984147,0.001134271],"genre_scores_gemma":[0.9977869,0.00003434254,0.0000787319,0.0008408484,0.001120492,0.00001886716,0.00002203253,0.00002444818,0.00007335549],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00423388,"threshold_uncertainty_score":0.9969864,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01417363940039979,"score_gpt":0.2366085751787519,"score_spread":0.2224349357783521,"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."}}