{"id":"W2057173428","doi":"10.1021/jm0002580","title":"A Conformational and Structure−Activity Relationship Study of Cytotoxic 3,5-Bis(arylidene)-4-piperidones and Related <i>N</i>-Acryloyl Analogues","year":2001,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":214,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan; University of Alberta","funders":"","keywords":"Chemistry; Cytotoxicity; Stereochemistry; Cytotoxic T cell; Structure–activity relationship; Molecular model; Aryl; L1210 cells; In vitro; Biochemistry; Organic chemistry","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":[0.0004341538,0.0001861465,0.0004852879,0.000046152,0.00009998381,0.00002072802,0.0001422179,0.0002043409,0.0006796218],"category_scores_gemma":[0.0006343103,0.000130231,0.00007097991,0.0001196954,0.0002181692,0.0002067322,0.00005637562,0.0005135863,2.676589e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004251237,"about_ca_system_score_gemma":0.00006638425,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002431997,"about_ca_topic_score_gemma":0.000005202547,"domain_scores_codex":[0.9985774,0.00004301528,0.0006170892,0.0001710207,0.0004352891,0.0001561685],"domain_scores_gemma":[0.9982601,0.0005078897,0.0007641603,0.0001402944,0.0001593443,0.0001682509],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"observational","study_design_scores_codex":[0.0005155594,0.0003586558,0.2225964,0.0001791307,0.0001576326,0.00008069193,0.0004912456,0.000007690342,0.7719624,0.000006826236,0.00004999328,0.003593761],"study_design_scores_gemma":[0.00409172,0.0005951311,0.7282031,0.0003990722,0.0003525253,0.005568956,0.00560187,0.0002321569,0.2533312,0.0008554017,0.0003733229,0.000395514],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9973967,0.000651603,0.000008165077,0.0001929075,0.00003931242,0.00004545824,0.00001652896,0.0000109718,0.001638371],"genre_scores_gemma":[0.9994617,0.0001685526,0.00005557074,0.00001466911,0.0001805911,0.00000145517,0.000003972828,0.000007584654,0.0001058848],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.5186312,"threshold_uncertainty_score":0.7441382,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02022271448892437,"score_gpt":0.2513945988188419,"score_spread":0.2311718843299175,"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."}}