{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008785164,0.0002588348,0.0001559782,0.0001260742,0.00008509336,0.0001373121,0.000239891,0.0001258113,0.0006196582],"category_scores_gemma":[0.00005578089,0.00006764254,0.0001157967,0.00005541119,0.0001199231,0.0001156875,0.0001361979,0.0001959194,0.0001594699],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003081514,"about_ca_system_score_gemma":0.0001314492,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006130458,"about_ca_topic_score_gemma":0.001443357,"domain_scores_codex":[0.9999615,0.000007054953,0.000002597244,0.000006933016,0.00001009763,0.00001175727],"domain_scores_gemma":[0.999969,0.000005304586,0.00000938665,0.000002080057,0.000005109569,0.000009089267],"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":[0.00009974958,0.00002418117,0.0001506475,0.0000373393,0.000004914906,0.00004733663,0.000009243288,0.000517271,0.9971517,0.0000840717,0.00004226491,0.001831269],"study_design_scores_gemma":[0.00005920655,0.0009403771,0.001104264,0.000003659797,0.00001070682,0.0001803623,0.00001065844,0.001752777,0.9938504,0.00003542053,0.002047657,0.000004502283],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9927763,0.00113555,0.004336822,0.000065265,0.00001399547,0.00005891385,0.0001693769,0.00007541839,0.001368373],"genre_scores_gemma":[0.996463,0.0004122216,0.002277397,0.00001970741,0.000002773892,0.00001708943,0.0001183255,0.000005508826,0.0006841079],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0006196582,"threshold_uncertainty_score":0.00223583,"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."}}