{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003118175,0.0001580473,0.0001673944,0.0000261391,0.0002398299,0.00002548997,0.0003584611,0.00005757239,0.00001338364],"category_scores_gemma":[0.001314374,0.00008829904,0.00006472915,0.0003253687,0.0006943663,0.00007144382,0.0001195206,0.0002722293,0.00003806714],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002128364,"about_ca_system_score_gemma":0.00003442305,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000156138,"about_ca_topic_score_gemma":0.000002185229,"domain_scores_codex":[0.9987742,0.0001566867,0.0001465537,0.000347923,0.0002989937,0.0002756155],"domain_scores_gemma":[0.9973084,0.002128324,0.0001192225,0.0003470765,0.00003743071,0.00005951549],"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":[0.00006429652,0.00004808296,0.0001575469,0.00003394075,0.000005348392,0.00000438678,0.000807513,5.551459e-7,0.9932994,0.001120885,0.00161142,0.002846604],"study_design_scores_gemma":[0.0002151138,0.0002032253,0.003884211,0.0000366054,0.00001094691,0.000005874454,0.00009140983,0.00005873021,0.9933035,0.0008253513,0.001264201,0.0001007949],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9918928,0.00008569669,0.00005664141,0.002359484,0.0001595068,0.0002732099,0.000001660091,0.00003944135,0.005131591],"genre_scores_gemma":[0.9955682,0.00006977592,0.00001141102,0.004034109,0.000171221,0.00002372693,1.310736e-7,0.00001566483,0.000105762],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005025829,"threshold_uncertainty_score":0.360073,"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."}}