{"id":"W2969359604","doi":"10.1002/cmdc.201900428","title":"Targeting an EGFR Water Network with 4‐Anilinoquin(az)oline Inhibitors for Chordoma","year":2019,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Melanoma and MAPK Pathways","field":"Biochemistry, Genetics and Molecular Biology","cited_by":41,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill; China Scholarship Council; Novartis Pharma; University of North Carolina at Chapel Hill; Ministero dello Sviluppo Economico; Genome Canada; Fundação de Amparo à Pesquisa do Estado de São Paulo; European Federation of Pharmaceutical Industries and Associations; Merck KGaA; Ontario Ministry of Economic Development and Innovation; Engineering and Physical Sciences Research Council; Pfizer","keywords":"EGFR inhibitors; Epidermal growth factor receptor; Quinazoline; Chemistry; IC50; Cancer research; Amine gas treating; Chordoma; Stereochemistry; Biology; Biochemistry; Receptor; In vitro; Medicine","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002482929,0.0002409185,0.0002243298,0.00001924726,0.0000871644,0.00002750374,0.0002083791,0.0002200231,0.00006883431],"category_scores_gemma":[0.00002071054,0.0001712254,0.00008906897,0.00005206545,0.00004817598,0.000008724644,0.00009483918,0.0001014912,0.0000458473],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001557756,"about_ca_system_score_gemma":0.00004776357,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005535486,"about_ca_topic_score_gemma":0.000009047129,"domain_scores_codex":[0.998549,0.00002021567,0.0002290297,0.0005197703,0.0001218952,0.0005600873],"domain_scores_gemma":[0.9992293,0.00001143088,0.00006895462,0.0004292452,0.0001079726,0.0001530812],"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":[0.0002518038,0.00005600465,0.004027613,0.00006028428,0.00004302839,0.000002603188,0.00007916804,0.0002017252,0.9884455,0.00006361848,0.006224786,0.0005438995],"study_design_scores_gemma":[0.001115652,0.0006580807,0.0001039173,0.0000180029,0.00001936317,0.00001156017,0.00008397774,0.0002309138,0.9124828,0.00007238219,0.08490086,0.0003024707],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9959933,0.0002327282,0.0009707841,0.000123694,0.0003765135,0.000485271,0.00001176107,0.00003742762,0.00176855],"genre_scores_gemma":[0.9904866,0.00001405579,0.003641338,0.0004041577,0.002270103,0.0000778235,0.001112582,0.00006505197,0.001928241],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.07867607,"threshold_uncertainty_score":0.6982369,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006594312264942149,"score_gpt":0.2116794800372793,"score_spread":0.2050851677723371,"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."}}