{"id":"W4309713572","doi":"10.1186/s13065-022-00893-z","title":"Synthesis, biological evaluation, and computational studies of some novel quinazoline derivatives as anticancer agents","year":2022,"lang":"en","type":"article","venue":"BMC Chemistry","topic":"Quinazolinone synthesis and applications","field":"Chemistry","cited_by":26,"is_retracted":false,"has_abstract":true,"ca_institutions":"The Scarborough Hospital; University of Toronto","funders":"Shiraz Transplant Research Center, Shiraz University of Medical Sciences","keywords":"Quinazolinone; Chemistry; Combinatorial chemistry; Docking (animal); Quinazoline; Cytotoxicity; Selectivity; Cell culture; Cancer cell lines; MTT assay; Stereochemistry; Lipinski's rule of five; Biochemistry; Cell growth; Cancer cell; In vitro; Cancer; Biology; In silico","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0002146215,0.0004854521,0.000906212,0.0003724898,0.0002778264,0.0005550639,0.0005901159,0.0003617996,0.004854116],"category_scores_gemma":[0.000335749,0.0001679409,0.0005767621,0.0003906821,0.0001364945,0.000357604,0.000206892,0.0003261079,0.0005055322],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003304201,"about_ca_system_score_gemma":0.0003836263,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002228345,"about_ca_topic_score_gemma":0.002325534,"domain_scores_codex":[0.9999471,0.00001065353,0.00000346845,0.00001118041,0.00001470402,0.00001291418],"domain_scores_gemma":[0.9998939,0.00004548143,0.00001870453,0.000005666929,0.00002519083,0.00001106568],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0007774384,0.0007626264,0.004704519,0.003892096,0.0002841431,0.001405973,0.00009120516,0.8375111,0.08275673,0.008994414,0.003404885,0.05541486],"study_design_scores_gemma":[0.0002502021,0.001998608,0.002057808,0.00008074833,0.0002708802,0.0003030791,0.0001143091,0.9465085,0.0337037,0.002026377,0.01263359,0.00005222013],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9317987,0.01768075,0.02557909,0.0006429483,0.0001402087,0.000240351,0.003382935,0.0006300076,0.01990511],"genre_scores_gemma":[0.9677774,0.005401093,0.02220511,0.00009404255,0.00002874763,0.000150963,0.001541343,0.00004939953,0.002751969],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004854116,"threshold_uncertainty_score":0.01623863,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1070588051636585,"score_gpt":0.3626342194377109,"score_spread":0.2555754142740524,"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."}}