{"id":"W4244596099","doi":"10.1021/jm500537u","title":"The Discovery of Polo-Like Kinase 4 Inhibitors: Design and Optimization of Spiro[cyclopropane-1,3′[3<i>H</i>]indol]-2′(1′<i>H</i>)-ones as Orally Bioavailable Antitumor Agents","year":2014,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Microtubule and mitosis dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":111,"is_retracted":false,"has_abstract":true,"ca_institutions":"Princess Margaret Cancer Centre; University Health Network","funders":"","keywords":"Chemistry; Kinase; Cyclopropane; Stereochemistry; Ligand efficiency; Biochemistry; Ligand (biochemistry); Receptor; Organic chemistry","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":[0.0007983096,0.0001824352,0.000330829,0.00003613983,0.0000753997,0.00002466775,0.0002837916,0.0001537019,0.00001164863],"category_scores_gemma":[0.0003713198,0.0001258855,0.0001163283,0.00009582081,0.0003120654,0.00001932287,0.0000944065,0.0001709268,4.00723e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001536771,"about_ca_system_score_gemma":0.000207277,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001633893,"about_ca_topic_score_gemma":0.000001371866,"domain_scores_codex":[0.9985375,0.00007765403,0.0006674255,0.0001833964,0.0003342413,0.0001997187],"domain_scores_gemma":[0.9984544,0.00006090202,0.0008242234,0.000263693,0.0002871114,0.0001096909],"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":[0.0004169705,0.00009907195,0.001240985,0.0001762012,0.0000907911,0.00001037489,0.00004073757,0.00137642,0.9935367,0.00000665642,0.002294658,0.0007104982],"study_design_scores_gemma":[0.001268254,0.0007276023,0.0001509636,0.0002777966,0.0001180199,0.0003277378,0.0002037018,0.0004460327,0.9911331,0.00004543167,0.005160075,0.0001412902],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9766625,0.003103091,0.01941594,0.0002361264,0.0002186767,0.0001227534,0.000007017802,0.000002578667,0.0002312669],"genre_scores_gemma":[0.992179,0.00340166,0.00341515,0.0001344131,0.0003999937,0.00000224158,0.00001649283,0.00002199735,0.0004290399],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01600079,"threshold_uncertainty_score":0.5133462,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006890415051192554,"score_gpt":0.2277038624579883,"score_spread":0.2208134474067957,"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."}}