{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0004423179,0.0002962755,0.0002802288,0.00004834801,0.000277633,0.0001052128,0.0001833469,0.0004121905,0.0002703504],"category_scores_gemma":[0.0008432234,0.0002660341,0.0001044079,0.0003263874,0.0000921307,0.0000927544,0.00009423988,0.0002955269,0.00002617276],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001303051,"about_ca_system_score_gemma":0.00005477389,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001471318,"about_ca_topic_score_gemma":0.000001840348,"domain_scores_codex":[0.9982653,0.000109792,0.0002748169,0.0006152614,0.0003087425,0.0004260643],"domain_scores_gemma":[0.9989291,0.0003846899,0.0001709413,0.0003145792,0.00004914549,0.0001515625],"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":[0.0000581421,0.0000265408,0.007416511,0.00007660532,0.00006232202,0.00001194306,0.00007874444,0.0001950379,0.9848123,0.00003078223,0.0001056919,0.007125368],"study_design_scores_gemma":[0.0003390136,0.00003181674,0.0006619787,0.00005413462,0.00005410949,0.00004454303,0.0001360288,0.004519171,0.990407,0.003253158,0.0001742124,0.0003248566],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9958177,0.0003269731,0.0001690973,0.0001313395,0.00002201066,0.0001159558,0.00001016273,0.0002982615,0.003108464],"genre_scores_gemma":[0.9991647,0.00002362957,0.0002968171,0.0000260764,0.0001947613,0.00005796984,0.0001124478,0.0000347091,0.0000888964],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006800511,"threshold_uncertainty_score":0.9999792,"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."}}