{"id":"W2939434783","doi":"10.1038/s41598-019-42816-4","title":"Examination of novel 4-aminoquinoline derivatives designed and synthesized by a hybrid pharmacophore approach to enhance their anticancer activities","year":2019,"lang":"en","type":"article","venue":"Scientific Reports","topic":"Synthesis and Biological Evaluation","field":"Chemistry","cited_by":42,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa; Laurentian University; Health Sciences North","funders":"Ontario Ministry of Research and Innovation; Natural Sciences and Engineering Research Council of Canada; Government of Ontario","keywords":"Pharmacophore; Cancer cell; Cancer; Cytotoxicity; Breast cancer; Cancer research; Chemistry; Cell cycle; Pharmacology; Medicine; Biochemistry; In vitro; Internal medicine","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":[0.001184355,0.0001496162,0.0002712798,0.00006242157,0.00008505116,0.00007409843,0.0001041957,0.00005399553,0.0002945324],"category_scores_gemma":[0.0002951976,0.0001081638,0.00004924672,0.0001603528,0.000199929,0.0001370567,0.00005989369,0.00005542033,0.000001910373],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003474803,"about_ca_system_score_gemma":0.00004433924,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005426438,"about_ca_topic_score_gemma":2.497153e-7,"domain_scores_codex":[0.9984002,0.00004440261,0.0003675159,0.0006473741,0.0003501757,0.0001903797],"domain_scores_gemma":[0.998952,0.0001973494,0.0003292614,0.0003452844,0.0001135829,0.00006255349],"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":[0.00002980664,0.0002029714,0.000485629,0.0000850623,0.00001931545,7.535847e-7,0.0003396977,0.000009744514,0.9706417,0.00000546685,0.0002134419,0.02796636],"study_design_scores_gemma":[0.0001195637,0.00002027009,0.001240757,0.00006830967,0.00001409147,0.00001563381,0.0003551987,0.001388379,0.9958739,0.00005441919,0.0007044131,0.0001450612],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9942723,0.0002043154,0.001748732,0.0000279692,0.0002532036,0.0002672244,0.00002177281,0.00003121681,0.0031733],"genre_scores_gemma":[0.9970865,0.00001486705,0.00128027,0.00001738795,0.00002750434,0.00005165754,0.00004911447,0.00001010958,0.001462588],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0278213,"threshold_uncertainty_score":0.4410793,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02847618399306277,"score_gpt":0.2825807442693987,"score_spread":0.2541045602763359,"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."}}