{"id":"W2973005468","doi":"10.1016/j.ejmech.2019.111693","title":"New oxadiazoles with selective-COX-2 and EGFR dual inhibitory activity: Design, synthesis, cytotoxicity evaluation and in silico studies","year":2019,"lang":"en","type":"article","venue":"European Journal of Medicinal Chemistry","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":69,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Western Canada Research Grid; Compute Canada","keywords":"Chemistry; ADME; Erlotinib; In silico; Cytotoxicity; Pharmacology; MTT assay; In vitro; Stereochemistry; Biochemistry; Epidermal growth factor receptor","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002762746,0.0004511838,0.0004861145,0.0002277923,0.0001829256,0.0003100327,0.0004477015,0.0002135662,0.002568751],"category_scores_gemma":[0.0001833825,0.0001704073,0.0002429107,0.0002932621,0.00024157,0.000234811,0.0002135147,0.0007192728,0.0005500524],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005056618,"about_ca_system_score_gemma":0.0004300454,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001402385,"about_ca_topic_score_gemma":0.004895605,"domain_scores_codex":[0.9999261,0.00001162815,0.000004425723,0.00001432454,0.00001762135,0.00002584355],"domain_scores_gemma":[0.9999347,0.000008266879,0.00001231282,0.000005214154,0.00001510495,0.00002442997],"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":[0.002344547,0.001054534,0.00125909,0.001976422,0.0001163437,0.001422858,0.0003696996,0.005578579,0.9003758,0.00394102,0.00321078,0.07835024],"study_design_scores_gemma":[0.003167469,0.02494279,0.009235208,0.0002638658,0.0006800659,0.005717101,0.0003771033,0.008949099,0.7929265,0.001081087,0.1525203,0.0001393314],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9165927,0.05060999,0.01818856,0.0006783998,0.0003018691,0.0006752854,0.002193831,0.0003267977,0.01043239],"genre_scores_gemma":[0.9554468,0.0211204,0.0112753,0.0002528498,0.00003945271,0.0001628599,0.001591523,0.00002351809,0.0100873],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002568751,"threshold_uncertainty_score":0.008593321,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03545012680054885,"score_gpt":0.2635439963571558,"score_spread":0.228093869556607,"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."}}