{"id":"W2142612589","doi":"10.1021/jm201417e","title":"Dynamic Combinatorial Mass Spectrometry Leads to Inhibitors of a 2-Oxoglutarate-Dependent Nucleic Acid Demethylase","year":2012,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Mitochondrial Function and Pathology","field":"Biochemistry, Genetics and Molecular Biology","cited_by":53,"is_retracted":false,"has_abstract":true,"ca_institutions":"York University","funders":"Biotechnology and Biological Sciences Research Council; Pfizer UK; Wellcome Trust","keywords":"AlkB; Chemistry; Nucleic acid; Small molecule; Biochemistry; Demethylase; Computational biology; Drug discovery; Mass spectrometry; Enzyme; Combinatorial chemistry; DNA; DNA repair; Biology","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001723147,0.0005480943,0.0003051033,0.0003565153,0.0001229385,0.0002995846,0.0003916258,0.0002737003,0.001386923],"category_scores_gemma":[0.0001462995,0.000171519,0.000237331,0.0002344293,0.0002731864,0.0001709108,0.0002236468,0.0004459167,0.0002706693],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004090959,"about_ca_system_score_gemma":0.0001904073,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003713694,"about_ca_topic_score_gemma":0.0009233917,"domain_scores_codex":[0.9998893,0.00001403065,0.000006045194,0.00002630294,0.00003774354,0.00002655384],"domain_scores_gemma":[0.9999448,0.000011563,0.00001791752,0.000005746831,0.000008111893,0.00001184391],"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":[0.0003188984,0.0001652972,0.0001078139,0.00006024014,0.00002281862,0.0000800612,0.00001377167,0.0009903777,0.9887033,0.0005421569,0.0002205002,0.008774691],"study_design_scores_gemma":[0.00006280323,0.0007053801,0.0003940119,0.000002885107,0.00001766288,0.0001288208,0.000006201702,0.00249904,0.9941849,0.00008488196,0.001907569,0.00000582552],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9657507,0.002271457,0.02196822,0.0002747004,0.0001017886,0.0002269277,0.0004331255,0.0004840089,0.008489205],"genre_scores_gemma":[0.9856237,0.001608692,0.007845905,0.0001375633,0.00001888645,0.0001049071,0.000359599,0.00003928571,0.004261355],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001386923,"threshold_uncertainty_score":0.004639685,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007178829287236505,"score_gpt":0.2541104379572849,"score_spread":0.2469316086700484,"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."}}