{"id":"W2171652090","doi":"10.1021/jm101506n","title":"Crystal Structures of ABL-Related Gene (ABL2) in Complex with Imatinib, Tozasertib (VX-680), and a Type I Inhibitor of the Triazole Carbothioamide Class","year":2011,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Chronic Myeloid Leukemia Treatments","field":"Medicine","cited_by":44,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Canadian Institutes of Health Research; Wellcome Trust","keywords":"Imatinib; Chemistry; ABL; Cocrystal; Cancer research; Stereochemistry; Biochemistry; Receptor; Tyrosine kinase; Biology; Molecule; Hydrogen bond","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":[0.0003350814,0.0005795587,0.0007878491,0.0002927763,0.0009304353,0.0007921,0.001282464,0.0008341824,0.003057193],"category_scores_gemma":[0.0005821885,0.0003753862,0.000276273,0.0006077414,0.0003362588,0.0005300647,0.0003302302,0.001631032,0.0003273271],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001412155,"about_ca_system_score_gemma":0.001227558,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01028523,"about_ca_topic_score_gemma":0.01806167,"domain_scores_codex":[0.9996815,0.00004743319,0.00001127081,0.00004449141,0.0001516456,0.00006354663],"domain_scores_gemma":[0.9997546,0.0000910252,0.00004016501,0.000008532839,0.00005823663,0.00004743205],"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":[0.008030853,0.003350361,0.02277474,0.003051799,0.001626449,0.006206265,0.002768753,0.04982707,0.7186217,0.02076529,0.1171153,0.04586133],"study_design_scores_gemma":[0.005686296,0.002833813,0.1183586,0.0003297276,0.001219347,0.005160091,0.004204684,0.4380687,0.2693109,0.005157901,0.1492117,0.0004581723],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9742283,0.005510787,0.002076006,0.002026592,0.0002146027,0.00006978841,0.004870351,0.0003865211,0.01061703],"genre_scores_gemma":[0.9712697,0.003294484,0.005849388,0.0004853694,0.00007151236,0.000126086,0.01391544,0.0001235441,0.004864357],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01028523,"threshold_uncertainty_score":0.02045071,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02178211018534384,"score_gpt":0.2476994199893019,"score_spread":0.2259173098039581,"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."}}