{"id":"W3215238985","doi":"10.1016/j.ejmech.2021.114003","title":"Branched alkyl of phenyl 4-(2-oxo-3-alkylimidazolidin-1-yl)benzenesulfonates as unique cytochrome P450 1A1-activated antimitotic prodrugs: Biological evaluation and mechanism of bioactivation","year":2021,"lang":"en","type":"article","venue":"European Journal of Medicinal Chemistry","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":9,"is_retracted":false,"has_abstract":false,"ca_institutions":"Université Laval; Institut universitaire de cardiologie et de pneumologie de Québec; Hôpital Saint-François d'Assise","funders":"Centre Hospitalier Universitaire de Québec; Merck Sharp and Dohme; Université Laval","keywords":"Chemistry; Moiety; Stereochemistry; Prodrug; Cytochrome P450; Alkyl; Isopropyl; Selectivity; Enzyme; Biochemistry; Medicinal chemistry; 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":[0.002063178,0.0002897055,0.0007177989,0.00005338885,0.00006276662,0.00001856658,0.0002975375,0.0001797811,0.001140433],"category_scores_gemma":[0.003116277,0.0002075437,0.0001902335,0.0002408566,0.000259002,0.0001256163,0.0001190073,0.0004899557,0.000001560441],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00008062876,"about_ca_system_score_gemma":0.0002321508,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005049388,"about_ca_topic_score_gemma":1.787895e-7,"domain_scores_codex":[0.997255,0.0004082713,0.001018287,0.0003716577,0.000701766,0.0002449882],"domain_scores_gemma":[0.9968064,0.0004821887,0.001352141,0.0002742566,0.0008991987,0.0001858221],"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":[0.0004237139,0.0003755736,0.0004605273,0.0003345223,0.0001713974,0.0001273487,0.0001477134,0.000009075204,0.9868208,0.00003289606,0.00001837502,0.01107808],"study_design_scores_gemma":[0.001445311,0.0002363237,0.006450961,0.0008019438,0.0001534689,0.0006541727,0.0008835595,0.000092461,0.9883878,0.0005866531,0.00009963565,0.0002077668],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.992094,0.0008302426,0.0001547056,0.0003546283,0.00005107967,0.00007719742,0.00001744504,0.00001977234,0.006400968],"genre_scores_gemma":[0.9985752,0.0004720317,0.0004597224,0.00004456672,0.0003481157,0.00000191737,0.00003142089,0.00002446161,0.00004259759],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01087032,"threshold_uncertainty_score":0.9997727,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03217680302786162,"score_gpt":0.2583555495611179,"score_spread":0.2261787465332563,"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."}}