{"id":"W2401258374","doi":"10.1021/jm200452d","title":"Matched Molecular Pairs as a Medicinal Chemistry Tool","year":2011,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Click Chemistry and Applications","field":"Chemistry","cited_by":287,"is_retracted":false,"has_abstract":true,"ca_institutions":"AstraZeneca (Canada)","funders":"","keywords":"Citation; Library science; Chemistry; Computer science","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":true,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0005864081,0.0004856349,0.0007457858,0.00003217185,0.00012928,0.0000295727,0.001074276,0.0004876001,0.02866449],"category_scores_gemma":[0.0006857898,0.0004381274,0.0004478727,0.0002581989,0.0003947311,0.0001426152,0.0001289774,0.001435767,0.00004773651],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002119047,"about_ca_system_score_gemma":0.0005143573,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002179481,"about_ca_topic_score_gemma":1.899642e-7,"domain_scores_codex":[0.9964502,0.00001524023,0.001338207,0.0004476533,0.001173388,0.000575243],"domain_scores_gemma":[0.9969026,0.0001477032,0.00108429,0.0007683148,0.0004266027,0.0006704198],"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":[0.0003058281,0.000383096,0.0004617636,0.0007767929,0.0002283095,0.001057358,0.0005760161,0.000002672698,0.9905819,0.00002715889,0.00291909,0.002680063],"study_design_scores_gemma":[0.001811565,0.00004688206,0.00007177099,0.0005871833,0.0003373024,0.005258933,0.002944939,0.00002177775,0.9763185,0.001266388,0.01090686,0.0004279171],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.828299,0.001006137,0.0002237395,0.000681004,0.00007684503,0.00004482692,0.00001560359,0.00006912191,0.1695837],"genre_scores_gemma":[0.9936194,0.0001574957,0.0008479587,0.0002892209,0.001425535,0.00002185591,0.00003115242,0.00006134427,0.003546066],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1660376,"threshold_uncertainty_score":0.9998071,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0169557843249972,"score_gpt":0.2522057431977696,"score_spread":0.2352499588727724,"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."}}