{"id":"W2049386548","doi":"10.1016/j.steroids.2010.09.004","title":"Design, synthesis and biological evaluation of estradiol-PEG-linked platinum(II) hybrid molecules: Comparative molecular modeling study of three distinct families of hybrids","year":2010,"lang":"en","type":"article","venue":"Steroids","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":35,"is_retracted":false,"has_abstract":false,"ca_institutions":"College of the North Atlantic; Memorial University of Newfoundland; Université du Québec à Trois-Rivières","funders":"Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research","keywords":"Chemistry; Lipophilicity; PEG ratio; Hybrid; MCF-7; Stereochemistry; Estrogen receptor; Molecular model; Biological activity; Biochemistry; Cancer cell; Biology; In vitro; Cancer; Breast cancer; Human breast; Genetics","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":[0.0001892571,0.0001687399,0.000195587,0.0001381609,0.0001424116,0.000341666,0.0003298139,0.0002186472,0.0005928029],"category_scores_gemma":[0.0002189056,0.0001421576,0.000166409,0.0001373662,0.0001425251,0.000215264,0.000119738,0.0002362693,0.0001574258],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003620141,"about_ca_system_score_gemma":0.0001180585,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004811821,"about_ca_topic_score_gemma":0.0004863312,"domain_scores_codex":[0.9999454,0.00000859019,0.000004546501,0.00001339827,0.00001831968,0.000009764597],"domain_scores_gemma":[0.9999466,0.00001501993,0.00001512016,0.000005480317,0.000009446229,0.00000836971],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0002049106,0.00006373968,0.0004112958,0.00005855668,0.0000221221,0.00006199996,0.00005001478,0.00561211,0.9875173,0.0007951267,0.0000510095,0.005151794],"study_design_scores_gemma":[0.00002321999,0.0002480314,0.0003928971,0.00000210699,0.00002398799,0.00005930723,0.00001933705,0.00755939,0.9899904,0.00005395589,0.00162104,0.000006405486],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9923975,0.0006374501,0.00594297,0.0000481575,0.000006989712,0.00003269556,0.0000951746,0.00003223471,0.0008068121],"genre_scores_gemma":[0.9910189,0.0004195587,0.007375879,0.00001587093,0.000002269273,0.00004032912,0.0001206462,0.00001292948,0.0009936959],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0005928029,"threshold_uncertainty_score":0.002626598,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1898203187342507,"score_gpt":0.3274921092534368,"score_spread":0.1376717905191861,"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."}}