{"id":"W2049633933","doi":"10.1016/j.bmcl.2008.09.009","title":"Optimization and structure–activity relationship of a series of 1-phenyl-1,8-naphthyridin-4-one-3-carboxamides: Identification of MK-0873, a potent and effective PDE4 inhibitor","year":2008,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Phosphodiesterase function and regulation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":20,"is_retracted":false,"has_abstract":false,"ca_institutions":"Merck Canada Inc. (Canada)","funders":"","keywords":"Chemistry; Stereochemistry; Identification (biology); Structure–activity relationship; Series (stratigraphy); Combinatorial chemistry; In vitro; Biochemistry","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":[0.0001403905,0.0001420458,0.0002229586,0.0000406672,0.00006575514,0.000004060868,0.00005577174,0.000145329,0.000008594433],"category_scores_gemma":[0.0002007818,0.0001360734,0.00004208046,0.00013152,0.0004410845,0.00001743039,0.00004341685,0.00008299624,7.080286e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002251923,"about_ca_system_score_gemma":0.00004525933,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001627251,"about_ca_topic_score_gemma":0.000001444749,"domain_scores_codex":[0.9990568,0.000050994,0.0003369943,0.0002635896,0.0001928401,0.00009885059],"domain_scores_gemma":[0.9991978,0.00003393665,0.0003839098,0.0001994832,0.0001272102,0.00005765568],"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":[0.0002351861,0.00004047709,0.01327937,0.0002763926,0.00006362678,8.263266e-7,0.0002358866,0.0001491797,0.9854843,0.000003912547,0.0000421031,0.0001887344],"study_design_scores_gemma":[0.0006144886,0.00009055639,0.1199986,0.00006235125,0.00006056695,0.0000601327,0.00009749531,0.0001189832,0.878777,0.00001061987,0.000009874477,0.00009934486],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9947949,0.0004114481,0.004173718,0.0002950751,0.00007198927,0.0002003544,0.00003210423,0.000007197612,0.00001321312],"genre_scores_gemma":[0.9992755,0.0001421995,0.0003246414,0.0000291607,0.00009520505,0.000006243381,0.00008873204,0.00001282285,0.00002549584],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1067192,"threshold_uncertainty_score":0.5548911,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007868477577463357,"score_gpt":0.2004123927644289,"score_spread":0.1925439151869655,"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."}}