{"id":"W2808781256","doi":"10.1002/cmdc.201800398","title":"NVP‐BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family","year":2018,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Axon Guidance and Neuronal Signaling","field":"Neuroscience","cited_by":27,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium","funders":"Structural Genomics Consortium; Deutschen Konsortium für Translationale Krebsforschung","keywords":"Erythropoietin-producing hepatocellular (Eph) receptor; Ephrin; Extracellular; Intracellular; EPH receptor A2; Kinase; Tyrosine kinase; Receptor; Biochemistry; Receptor tyrosine kinase; Biology; Selectivity; Chemistry; Transmembrane protein; Structural isomer; Stereochemistry; Cell biology","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0001492206,0.0003098882,0.0002002757,0.0001170256,0.0000942119,0.0001372656,0.0002446089,0.0001903765,0.002564884],"category_scores_gemma":[0.0001840648,0.00009305005,0.0001290732,0.0001595846,0.000153395,0.0001870117,0.000124826,0.0003913371,0.0004576676],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001939445,"about_ca_system_score_gemma":0.0002055675,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001294004,"about_ca_topic_score_gemma":0.001200887,"domain_scores_codex":[0.9998783,0.00002487043,0.000006757166,0.00002899924,0.00002018784,0.00004093235],"domain_scores_gemma":[0.9999399,0.00001877742,0.00001239839,0.000005969526,0.000008703112,0.00001424379],"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":[0.001886442,0.0001994407,0.0002137094,0.00009507786,0.00002433323,0.0001128992,0.00003345641,0.0003600823,0.9902245,0.0001852306,0.0003206932,0.006344087],"study_design_scores_gemma":[0.00003895364,0.0009179839,0.0009458953,0.000004319069,0.00001566445,0.0001256956,0.000021935,0.0005220075,0.9954099,0.00002731926,0.001961857,0.00000852805],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9950604,0.001352374,0.000499046,0.00005951535,0.00002134542,0.00001928346,0.0003626832,0.00003404557,0.002591274],"genre_scores_gemma":[0.9950444,0.001307665,0.0009158637,0.0000605213,0.000006965052,0.00002316109,0.0003969645,0.0000291963,0.002215243],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002564884,"threshold_uncertainty_score":0.008580387,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0624264783758072,"score_gpt":0.2627468935758169,"score_spread":0.2003204152000097,"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."}}