{"id":"W4410382461","doi":"10.1021/acs.jmedchem.4c03083","title":"Discovery of Imidazo[1,2-<i>b</i>]pyridazine Derivatives as Potent and Highly Selective Irreversible Bruton’s Tyrosine Kinase (BTK) Inhibitors","year":2025,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Chronic Lymphocytic Leukemia Research","field":"Medicine","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"Artificial Intelligence in Medicine (Canada)","funders":"Science and Technology Innovation Talents in Universities of Henan Province; Henan Provincial Science and Technology Research Project; Education Department of Henan Province; National Natural Science Foundation of China; Henan Normal University","keywords":"Bruton's tyrosine kinase; Chemistry; Pyridazine; Tyrosine kinase; Stereochemistry; Biochemistry; Signal transduction","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0006449287,0.0002645005,0.0008165423,0.0002350758,0.00006955235,0.00002300932,0.0002178376,0.0001872102,0.00005105787],"category_scores_gemma":[0.001375285,0.000202401,0.0001984784,0.0005879854,0.0005227865,0.0002242153,0.0001592148,0.0007434965,0.0000018379],"about_ca_system_candidate":true,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.003455296,"about_ca_system_score_gemma":0.007403133,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001364828,"about_ca_topic_score_gemma":0.000001884953,"domain_scores_codex":[0.9974428,0.00004889452,0.0008586136,0.0002821682,0.001005236,0.000362217],"domain_scores_gemma":[0.9979193,0.0003430412,0.0005051252,0.0002824537,0.0006608066,0.0002892906],"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":[0.004222807,0.0005612068,0.004760462,0.002752039,0.0007812938,0.001339829,0.0005659909,0.0000433631,0.9697899,0.00009106667,0.0128415,0.002250605],"study_design_scores_gemma":[0.01614085,0.0007181432,0.004468907,0.003177762,0.000439847,0.002384381,0.001337932,0.0002927973,0.9694716,0.0002847674,0.001124539,0.0001584901],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.984212,0.006531873,0.0001085901,0.003443426,0.0001973781,0.0001843271,0.000007369353,0.00001187475,0.005303198],"genre_scores_gemma":[0.995809,0.000995642,0.000234966,0.0002961594,0.0004853849,0.000003474389,0.000007198332,0.00002158217,0.002146581],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01191804,"threshold_uncertainty_score":0.998224,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007690525082136716,"score_gpt":0.2831167849496755,"score_spread":0.2754262598675388,"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."}}