{"id":"W4320490788","doi":"10.1021/acs.jmedchem.2c01268","title":"Homologation of the Alkyl Side Chain of Antimitotic Phenyl 4-(2-Oxo-3-alkylimidazolidin-1-yl)benzenesulfonate Prodrugs Selectively Targeting CYP1A1-Expressing Breast Cancers Improves Their Stability in Rodent Liver Microsomes","year":2023,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Click Chemistry and Applications","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval; Institut universitaire de cardiologie et de pneumologie de Québec; Hôpital Saint-François d'Assise","funders":"Institute of Cancer Research; Fonds de Recherche du Québec - Santé; Canadian Institutes of Health Research; Merck Sharp and Dohme; Canada Foundation for Innovation; Centre Hospitalier Universitaire de Québec; Réseau Québécois de Recherche sur les Médicaments; Université Laval","keywords":"Chemistry; Prodrug; Alkyl; Moiety; Microsome; Stereochemistry; Pharmacology; Biochemistry; In vitro; Biology; 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":[],"consensus_categories":[],"category_scores_codex":[0.0009610316,0.0002834699,0.0005901139,0.00005751512,0.0001236414,0.00001693709,0.0006196649,0.0002087089,0.00009502837],"category_scores_gemma":[0.0005986681,0.0002137173,0.0002601971,0.0006031691,0.0003696778,0.0001328454,0.0001288425,0.0007645536,4.719458e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004059365,"about_ca_system_score_gemma":0.0006289209,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001294121,"about_ca_topic_score_gemma":0.00001244177,"domain_scores_codex":[0.9974216,0.00004991962,0.001211052,0.0003348912,0.0005981738,0.0003843221],"domain_scores_gemma":[0.9970127,0.0004221165,0.001594482,0.0003885166,0.0004570575,0.0001251308],"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":[0.0001777828,0.0001659495,0.009350488,0.001402603,0.00008160992,0.00001399491,0.001684772,0.0005934565,0.9847899,0.000001805921,0.0001214648,0.001616194],"study_design_scores_gemma":[0.0009380358,0.00001554149,0.009269373,0.001109473,0.00007833222,0.000200813,0.005043556,0.0008985426,0.9820514,0.0001687348,0.00004875665,0.0001774646],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.997617,0.0008445404,0.00001547381,0.0006027207,0.00007275977,0.0001101209,0.00009078499,0.00002193513,0.0006246353],"genre_scores_gemma":[0.9991162,0.0002436972,0.00008871198,0.00001898231,0.0003714171,0.00001398154,0.00001965207,0.00002706334,0.0001002461],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003358785,"threshold_uncertainty_score":0.8715138,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01412722731948035,"score_gpt":0.2394102673607948,"score_spread":0.2252830400413145,"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."}}