{"id":"W4383913262","doi":"10.1002/slct.202301200","title":"Nitrogen‐Containing Heterocyclic Scaffolds as EGFR Inhibitors: Design Approaches, Molecular Docking, and Structure‐Activity Relationships","year":2023,"lang":"en","type":"article","venue":"ChemistrySelect","topic":"Synthesis and Biological Evaluation","field":"Chemistry","cited_by":23,"is_retracted":false,"has_abstract":true,"ca_institutions":"Discovery Centre","funders":"","keywords":"Epidermal growth factor receptor; EGFR inhibitors; Docking (animal); Cancer; Erlotinib; Lung cancer; Medicine; Computational biology; Cancer research; Biology; Oncology; Internal medicine","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":[0.000226044,0.0004406239,0.0005104265,0.0003045994,0.000198679,0.0003937116,0.0004145569,0.0003422668,0.00295773],"category_scores_gemma":[0.0001613209,0.0001495755,0.0004051773,0.0004622556,0.000155785,0.0005186726,0.0003667447,0.0007532699,0.000820206],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002948137,"about_ca_system_score_gemma":0.0002497011,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006694146,"about_ca_topic_score_gemma":0.001344281,"domain_scores_codex":[0.9998991,0.00001935515,0.000006597087,0.00001896211,0.00003606512,0.00001985136],"domain_scores_gemma":[0.9999673,0.000007076416,0.000009154383,0.000002412753,0.000009009527,0.000004876294],"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":[0.0009070285,0.001306518,0.001536829,0.01422496,0.0004252716,0.001428088,0.0002242315,0.03801772,0.4903119,0.04443438,0.01750664,0.3896765],"study_design_scores_gemma":[0.0005147409,0.009202598,0.00557872,0.001420392,0.0006578389,0.002658543,0.0002336497,0.04024467,0.3603826,0.009758867,0.5691063,0.0002412052],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"review","genre_gemma":"empirical","genre_scores_codex":[0.2531018,0.6466557,0.03178443,0.001747218,0.000771664,0.0003832768,0.0009779067,0.0003915129,0.0641866],"genre_scores_gemma":[0.6227264,0.3515988,0.01024368,0.0008759286,0.0001405273,0.0001722286,0.0008088864,0.00003083959,0.0134027],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.00295773,"threshold_uncertainty_score":0.009894609,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.09957217219090037,"score_gpt":0.2701964661494293,"score_spread":0.170624293958529,"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."}}