{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001496425,0.0003874656,0.0003218745,0.0002011522,0.00008567749,0.0003327914,0.0003339419,0.0001833937,0.001017902],"category_scores_gemma":[0.0001142918,0.0001714854,0.0002517361,0.0001739457,0.0001640118,0.0002464976,0.0002045225,0.0004390888,0.0003079943],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003058396,"about_ca_system_score_gemma":0.0003913129,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003771713,"about_ca_topic_score_gemma":0.001216605,"domain_scores_codex":[0.9999555,0.000007500294,0.000002843974,0.00001030916,0.00001147908,0.00001239779],"domain_scores_gemma":[0.9999746,0.000003245598,0.000008714686,0.00000184665,0.000003653079,0.000007866593],"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":[0.001091471,0.0007768478,0.001217333,0.0007620409,0.00008238161,0.0006900228,0.0001296449,0.04805828,0.8781706,0.004691386,0.001066179,0.06326384],"study_design_scores_gemma":[0.001848615,0.01237516,0.006415851,0.0001496396,0.0003316935,0.001350265,0.0001534012,0.05127529,0.8745944,0.001558176,0.04983438,0.0001131913],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9679239,0.01041382,0.01261785,0.00037307,0.00005787525,0.0003412509,0.0008070744,0.0002012392,0.007263975],"genre_scores_gemma":[0.977353,0.009164461,0.00870207,0.0001221544,0.00001998853,0.0001589702,0.0007582285,0.00002279903,0.003698221],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001017902,"threshold_uncertainty_score":0.003405213,"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."}}