{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001349813,0.0003118484,0.0002917442,0.0001416622,0.0001260205,0.0001468761,0.0003678575,0.0002326851,0.002281068],"category_scores_gemma":[0.0001559041,0.00009446784,0.0001300906,0.000146539,0.0001590098,0.0001982778,0.0002095989,0.0003803103,0.0004716581],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001779797,"about_ca_system_score_gemma":0.0001598359,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003632561,"about_ca_topic_score_gemma":0.0006438681,"domain_scores_codex":[0.999908,0.00001909024,0.000007258257,0.00001258168,0.00002090277,0.00003219912],"domain_scores_gemma":[0.9999118,0.00001782391,0.00002587026,0.00001329095,0.000008941801,0.0000222837],"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":[0.0004223165,0.00004172023,0.00008414676,0.00007808338,0.000005864262,0.0001884623,0.00002972216,0.0002633259,0.9943264,0.000662311,0.00009559871,0.003802099],"study_design_scores_gemma":[0.00008315437,0.0009679159,0.0009943013,0.000007232516,0.00002413049,0.0002779815,0.00001211689,0.0006463375,0.9921517,0.00009913287,0.004726567,0.000009432187],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9835385,0.001923028,0.004758018,0.0001554852,0.00008476755,0.00006578851,0.000294521,0.0001285673,0.009051344],"genre_scores_gemma":[0.992561,0.001153244,0.002015083,0.00004792735,0.00002135549,0.00003199889,0.0002523171,0.00002153079,0.003895525],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002281068,"threshold_uncertainty_score":0.007630944,"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."}}