{"id":"W1985271353","doi":"10.1021/jm101595p","title":"3,5-Bis(benzylidene)-1-[3-(2-hydroxyethylthio)propanoyl]piperidin-4-ones: A Novel Cluster of Potent Tumor-Selective Cytotoxins","year":2011,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":25,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"Canadian Institutes of Health Research","keywords":"Chemistry; Cytotoxicity; Cluster (spacecraft); Stereochemistry; Combinatorial chemistry; Computational chemistry; In vitro; Biochemistry","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":[0.00005803108,0.0003008056,0.0001633721,0.0001417879,0.00009936825,0.0001359255,0.0001997897,0.0001390447,0.001168451],"category_scores_gemma":[0.00004888206,0.00008245737,0.00008585619,0.0001085947,0.0001275657,0.0001636923,0.0001862492,0.000288138,0.0004217351],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001773705,"about_ca_system_score_gemma":0.0001622307,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002084067,"about_ca_topic_score_gemma":0.0005807669,"domain_scores_codex":[0.9999676,0.000004925656,0.000002489827,0.000006635973,0.000007155621,0.0000111518],"domain_scores_gemma":[0.9999704,0.000002496115,0.000008689636,0.000002884751,0.000004232156,0.00001117112],"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":[0.000435373,0.00008771641,0.0002686252,0.0001381081,0.000008614341,0.0001855781,0.00005031656,0.000658879,0.9822294,0.0008105056,0.0002869546,0.01483993],"study_design_scores_gemma":[0.0001712185,0.002397242,0.00459122,0.00001814445,0.00002902986,0.0007593869,0.00004006308,0.001295949,0.9687047,0.0002632401,0.02171065,0.00001918866],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9861653,0.003816849,0.004877588,0.0001262517,0.00004162668,0.00006067417,0.0004788555,0.0001631127,0.004269751],"genre_scores_gemma":[0.9877522,0.002255714,0.004338907,0.00006667498,0.0000155195,0.00007819964,0.000579314,0.0000143858,0.004899035],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001168451,"threshold_uncertainty_score":0.003908873,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03437737522982857,"score_gpt":0.232201279961528,"score_spread":0.1978239047316994,"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."}}